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]+ 235.071336 146.8
[M+Na]+ 257.053278 153.1
[M-H]- 233.056784 146.3
[M+NH4]+ 252.097883 160.0
[M+K]+ 273.027218 153.7
[M+H-H2O]+ 217.061320 140.2
[M+HCOO]- 279.062261 160.7
[M+CH3COO]- 293.077911 185.5
[M+Na-2H]- 255.038726 150.5
[M]+ 234.06351142 140.3
[M]- 234.06460858 140.3
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