PubChemLite - 3,3-bis[[1-(cyclopropylmethyl)-3,6-dihydro-2h-pyridin-4-yl]methyl]-1-phenyl-indolin-2-one (C34H41N3O)

Structural Information

Molecular Formula

SMILES

C1CC1CN2CCC(=CC2)CC3(C4=CC=CC=C4N(C3=O)C5=CC=CC=C5)CC6=CCN(CC6)CC7CC7

InChI

InChI=1S/C34H41N3O/c38-33-34(22-26-14-18-35(19-15-26)24-28-10-11-28,23-27-16-20-36(21-17-27)25-29-12-13-29)31-8-4-5-9-32(31)37(33)30-6-2-1-3-7-30/h1-9,14,16,28-29H,10-13,15,17-25H2

InChIKey

ZGPVHCUTTQRWFJ-UHFFFAOYSA-N

Compound name

3,3-bis[[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-4-yl]methyl]-1-phenylindol-2-one

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]+	508.33223	229.1
[M+Na]+	530.31417	231.6
[M-H]-	506.31767	239.2
[M+NH4]+	525.35877	225.4
[M+K]+	546.28811	226.2
[M+H-H2O]+	490.32221	218.3
[M+HCOO]-	552.32315	237.8
[M+CH3COO]-	566.33880	231.2
[M+Na-2H]-	528.29962	221.8
[M]+	507.32440	226.7
[M]-	507.32550	226.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.33223

229.1

[M+Na]+

530.31417

231.6

[M-H]-

506.31767

239.2

[M+NH4]+

525.35877

225.4

[M+K]+

546.28811

226.2

[M+H-H2O]+

490.32221

218.3

[M+HCOO]-

552.32315

237.8

[M+CH3COO]-

566.33880

231.2

[M+Na-2H]-

528.29962

221.8

[M]+

507.32440

226.7

[M]-

507.32550

226.7

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

3,3-bis[[1-(cyclopropylmethyl)-3,6-dihydro-2h-pyridin-4-yl]methyl]-1-phenyl-indolin-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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