CID 3052482

Tzi 615

Structural Information

Molecular Formula
C17H15NO3
SMILES
CN1CC2=CC=CC=C2C(=O)C3=C1C=CC(=C3)CC(=O)O
InChI
InChI=1S/C17H15NO3/c1-18-10-12-4-2-3-5-13(12)17(21)14-8-11(9-16(19)20)6-7-15(14)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKey
KJYXUANTSFDCOA-UHFFFAOYSA-N
Compound name
2-(5-methyl-11-oxo-6H-benzo[c][1]benzazepin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

281.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.112476 160.7
[M+Na]+ 304.094418 168.6
[M-H]- 280.097924 165.3
[M+NH4]+ 299.139023 176.2
[M+K]+ 320.068358 168.5
[M+H-H2O]+ 264.102460 155.1
[M+HCOO]- 326.103401 177.7
[M+CH3COO]- 340.119051 171.9
[M+Na-2H]- 302.079866 165.5
[M]+ 281.10465142 159.1
[M]- 281.10574858 159.1
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