CID 24278913

1217715-92-8

Structural Information

Molecular Formula
C11H10N2O4
SMILES
C1=CC=C2C(=C1)C(=O)N[C@H](C(=O)N2)CC(=O)O
InChI
InChI=1S/C11H10N2O4/c14-9(15)5-8-11(17)12-7-4-2-1-3-6(7)10(16)13-8/h1-4,8H,5H2,(H,12,17)(H,13,16)(H,14,15)/t8-/m0/s1
InChIKey
PZADUWCGARVTQN-QMMMGPOBSA-N
Compound name
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

234.06406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 147.2
[M+Na]+ 257.05328 155.7
[M+NH4]+ 252.09788 151.6
[M+K]+ 273.02722 153.6
[M-H]- 233.05678 145.1
[M+Na-2H]- 255.03873 149.3
[M]+ 234.06351 147.3
[M]- 234.06461 147.3
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

patents stripe