CID 342061

81225-99-2

Structural Information

Molecular Formula
C9H8N2O4
SMILES
C1=CC=C2C(=C1)NC(=O)C(C(=O)N2)(O)O
InChI
InChI=1S/C9H8N2O4/c12-7-9(14,15)8(13)11-6-4-2-1-3-5(6)10-7/h1-4,14-15H,(H,10,12)(H,11,13)
InChIKey
TWNFBSXWKYLBQG-UHFFFAOYSA-N
Compound name
3,3-dihydroxy-1,5-dihydro-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0484 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05568 141.6
[M+Na]+ 231.03762 149.2
[M-H]- 207.04112 140.3
[M+NH4]+ 226.08222 157.1
[M+K]+ 247.01156 149.3
[M+H-H2O]+ 191.04566 135.6
[M+HCOO]- 253.04660 155.3
[M+CH3COO]- 267.06225 177.2
[M+Na-2H]- 229.02307 147.8
[M]+ 208.04785 134.3
[M]- 208.04895 134.3
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.