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 142.4
[M+Na]+ 243.03762 149.2
[M-H]- 219.04112 142.1
[M+NH4]+ 238.08222 156.2
[M+K]+ 259.01156 150.0
[M+H-H2O]+ 203.04566 136.0
[M+HCOO]- 265.04660 156.7
[M+CH3COO]- 279.06225 182.7
[M+Na-2H]- 241.02307 146.6
[M]+ 220.04785 135.6
[M]- 220.04895 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.