CID 196473

N-(4-aminobenzoyl)-l-glutamic acid

Structural Information

Molecular Formula
C12H14N2O5
SMILES
C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
InChI
InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
InChIKey
GADGMZDHLQLZRI-VIFPVBQESA-N
Compound name
(2S)-2-[(4-aminobenzoyl)amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

90
References

1383
Patents

266.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 158.7
[M+Na]+ 289.07949 162.5
[M-H]- 265.08299 158.8
[M+NH4]+ 284.12409 172.2
[M+K]+ 305.05343 161.1
[M+H-H2O]+ 249.08753 151.8
[M+HCOO]- 311.08847 178.3
[M+CH3COO]- 325.10412 197.4
[M+Na-2H]- 287.06494 158.3
[M]+ 266.08972 156.2
[M]- 266.09082 156.2
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.