CID 388201

Nsc682769

Structural Information

Molecular Formula
C27H22N2O3
SMILES
COC1=C(C=C(C=C1)C2=CC(=NC3=C2CC(=O)NC4=CC=CC=C43)C5=CC=CC=C5)OC
InChI
InChI=1S/C27H22N2O3/c1-31-24-13-12-18(14-25(24)32-2)20-15-23(17-8-4-3-5-9-17)29-27-19-10-6-7-11-22(19)28-26(30)16-21(20)27/h3-15H,16H2,1-2H3,(H,28,30)
InChIKey
SGZJSYXKEGHHMW-UHFFFAOYSA-N
Compound name
4-(3,4-dimethoxyphenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

422.16306 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17034 208.4
[M+Na]+ 445.15228 216.3
[M-H]- 421.15578 217.1
[M+NH4]+ 440.19688 216.3
[M+K]+ 461.12622 213.5
[M+H-H2O]+ 405.16032 197.9
[M+HCOO]- 467.16126 223.3
[M+CH3COO]- 481.17691 216.3
[M+Na-2H]- 443.13773 211.3
[M]+ 422.16251 206.8
[M]- 422.16361 206.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe