CID 453991

140413-34-9

Structural Information

Molecular Formula
C15H12N2O4
SMILES
CC1=CC(=C2C(=C1)OC3=C(C=CC=N3)C(=O)N2C)C(=O)O
InChI
InChI=1S/C15H12N2O4/c1-8-6-10(15(19)20)12-11(7-8)21-13-9(4-3-5-16-13)14(18)17(12)2/h3-7H,1-2H3,(H,19,20)
InChIKey
PCICRFXDXSEVNI-UHFFFAOYSA-N
Compound name
6,9-dimethyl-5-oxopyrido[2,3-b][1,5]benzoxazepine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.0797 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.086976 160.1
[M+Na]+ 307.068918 169.8
[M-H]- 283.072424 164.7
[M+NH4]+ 302.113523 173.2
[M+K]+ 323.042858 171.6
[M+H-H2O]+ 267.076960 153.1
[M+HCOO]- 329.077901 175.7
[M+CH3COO]- 343.093551 171.6
[M+Na-2H]- 305.054366 165.8
[M]+ 284.07915142 160.7
[M]- 284.08024858 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.