CID 6449708

5-(5-carboxypentylidene)-5h-10,11-dihydropyrido(3,4-c)(1)benzazepin

Structural Information

Molecular Formula
C19H20N2O2
SMILES
C1C2=C(C=CN=C2)/C(=C/CCCCC(=O)O)/C3=CC=CC=C3N1
InChI
InChI=1S/C19H20N2O2/c22-19(23)9-3-1-2-6-16-15-10-11-20-12-14(15)13-21-18-8-5-4-7-17(16)18/h4-8,10-12,21H,1-3,9,13H2,(H,22,23)/b16-6-
InChIKey
BFKZRPSANUVRLW-SOFYXZRVSA-N
Compound name
(6Z)-6-(5,6-dihydropyrido[3,4-c][1]benzazepin-11-ylidene)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

308.15247 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 171.7
[M+Na]+ 331.14169 182.4
[M+NH4]+ 326.18629 177.8
[M+K]+ 347.11563 176.4
[M-H]- 307.14519 172.3
[M+Na-2H]- 329.12714 175.7
[M]+ 308.15192 173.3
[M]- 308.15302 173.3
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