PubChemLite - 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-n-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide (C30H29N3O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)NC5=CC=CC=N5

InChI

InChI=1S/C30H29N3O3/c1-19-26(29(35)33-25-14-7-8-15-31-25)27(28-23(32-19)17-30(2,3)18-24(28)34)20-10-9-13-22(16-20)36-21-11-5-4-6-12-21/h4-16,27,32H,17-18H2,1-3H3,(H,31,33,35)

InChIKey

KNWTVQAZCYDKGG-UHFFFAOYSA-N

Compound name

2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-N-pyridin-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	480.22818	221.0
[M+Na]+	502.21012	226.0
[M-H]-	478.21362	229.6
[M+NH4]+	497.25472	226.6
[M+K]+	518.18406	218.5
[M+H-H2O]+	462.21816	207.0
[M+HCOO]-	524.21910	233.8
[M+CH3COO]-	538.23475	226.8
[M+Na-2H]-	500.19557	221.3
[M]+	479.22035	217.5
[M]-	479.22145	217.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.22818

221.0

[M+Na]+

502.21012

226.0

[M-H]-

478.21362

229.6

[M+NH4]+

497.25472

226.6

[M+K]+

518.18406

218.5

[M+H-H2O]+

462.21816

207.0

[M+HCOO]-

524.21910

233.8

[M+CH3COO]-

538.23475

226.8

[M+Na-2H]-

500.19557

221.3

[M]+

479.22035

217.5

[M]-

479.22145

217.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-n-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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