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]+ 221.05568 143.0
[M+Na]+ 243.03762 151.6
[M+NH4]+ 238.08222 147.5
[M+K]+ 259.01156 149.8
[M-H]- 219.04112 140.9
[M+Na-2H]- 241.02307 145.4
[M]+ 220.04785 143.2
[M]- 220.04895 143.2
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.