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

6
Patents

281.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 160.7
[M+Na]+ 304.09442 168.6
[M-H]- 280.09792 165.3
[M+NH4]+ 299.13902 176.2
[M+K]+ 320.06836 168.5
[M+H-H2O]+ 264.10246 155.1
[M+HCOO]- 326.10340 177.7
[M+CH3COO]- 340.11905 171.9
[M+Na-2H]- 302.07987 165.5
[M]+ 281.10465 159.1
[M]- 281.10575 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