CID 154867830

1146702-08-0

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1C(=O)NC2=C(C=C(C=C2)C(=O)O)C(=O)N1
InChI
InChI=1S/C10H8N2O4/c13-8-4-11-9(14)6-3-5(10(15)16)1-2-7(6)12-8/h1-3H,4H2,(H,11,14)(H,12,13)(H,15,16)
InChIKey
BGJQZCFZFAVHEN-UHFFFAOYSA-N
Compound name
2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0484 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 142.4
[M+Na]+ 243.037618 149.2
[M-H]- 219.041124 142.1
[M+NH4]+ 238.082223 156.2
[M+K]+ 259.011558 150.0
[M+H-H2O]+ 203.045660 136.0
[M+HCOO]- 265.046601 156.7
[M+CH3COO]- 279.062251 182.7
[M+Na-2H]- 241.023066 146.6
[M]+ 220.04785142 135.6
[M]- 220.04894858 135.6
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

No patent data available for this compound.