PubChemLite - 154185-86-1 (C30H28N2O7)

Structural Information

Molecular Formula

SMILES

CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OC(=CC3=O)C4=CC(=C(C=C4)OC)OC)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H28N2O7/c1-17(33)32-23(19-7-10-26(35-2)29(13-19)37-4)15-22(31-32)18-6-9-25-21(12-18)24(34)16-28(39-25)20-8-11-27(36-3)30(14-20)38-5/h6-14,16,23H,15H2,1-5H3

InChIKey

VCKIPITYQNKBOD-UHFFFAOYSA-N

Compound name

6-[2-acetyl-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]-2-(3,4-dimethoxyphenyl)chromen-4-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]+	529.19692	229.9
[M+Na]+	551.17886	238.4
[M-H]-	527.18236	242.8
[M+NH4]+	546.22346	233.7
[M+K]+	567.15280	235.8
[M+H-H2O]+	511.18690	217.3
[M+HCOO]-	573.18784	246.3
[M+CH3COO]-	587.20349	249.6
[M+Na-2H]-	549.16431	226.4
[M]+	528.18909	239.3
[M]-	528.19019	239.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.19692

229.9

[M+Na]+

551.17886

238.4

[M-H]-

527.18236

242.8

[M+NH4]+

546.22346

233.7

[M+K]+

567.15280

235.8

[M+H-H2O]+

511.18690

217.3

[M+HCOO]-

573.18784

246.3

[M+CH3COO]-

587.20349

249.6

[M+Na-2H]-

549.16431

226.4

[M]+

528.18909

239.3

[M]-

528.19019

239.3

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

154185-86-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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