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]+ 285.08698 160.1
[M+Na]+ 307.06892 169.8
[M-H]- 283.07242 164.7
[M+NH4]+ 302.11352 173.2
[M+K]+ 323.04286 171.6
[M+H-H2O]+ 267.07696 153.1
[M+HCOO]- 329.07790 175.7
[M+CH3COO]- 343.09355 171.6
[M+Na-2H]- 305.05437 165.8
[M]+ 284.07915 160.7
[M]- 284.08025 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.