CID 15426324

Refchem:237129

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N=CC(=O)N2
InChI
InChI=1S/C9H6N2O2/c12-8-5-10-9(13)6-3-1-2-4-7(6)11-8/h1-5H,(H,11,12)
InChIKey
IAIGWBZFHIEWJI-UHFFFAOYSA-N
Compound name
1H-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

59
References

1144
Patents

174.04292 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05020 129.2
[M+Na]+ 197.03214 139.7
[M-H]- 173.03564 132.3
[M+NH4]+ 192.07674 146.6
[M+K]+ 213.00608 140.3
[M+H-H2O]+ 157.04018 123.1
[M+HCOO]- 219.04112 151.2
[M+CH3COO]- 233.05677 143.0
[M+Na-2H]- 195.01759 139.4
[M]+ 174.04237 127.8
[M]- 174.04347 127.8
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.