CID 3052483

5h-dibenz(b,e)azepine-2-acetic acid, 6,11-dihydro-11-oxo-

Structural Information

Molecular Formula
C16H13NO3
SMILES
C1C2=CC=CC=C2C(=O)C3=C(N1)C=CC(=C3)CC(=O)O
InChI
InChI=1S/C16H13NO3/c18-15(19)8-10-5-6-14-13(7-10)16(20)12-4-2-1-3-11(12)9-17-14/h1-7,17H,8-9H2,(H,18,19)
InChIKey
OHHCOHAULIXOSY-UHFFFAOYSA-N
Compound name
2-(11-oxo-5,6-dihydrobenzo[c][1]benzazepin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

267.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 156.9
[M+Na]+ 290.07876 168.3
[M+NH4]+ 285.12336 163.8
[M+K]+ 306.05270 163.4
[M-H]- 266.08226 158.1
[M+Na-2H]- 288.06421 161.6
[M]+ 267.08899 158.8
[M]- 267.09009 158.8
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