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

1390
Patents

266.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.097546 158.7
[M+Na]+ 289.079488 162.5
[M-H]- 265.082994 158.8
[M+NH4]+ 284.124093 172.2
[M+K]+ 305.053428 161.1
[M+H-H2O]+ 249.087530 151.8
[M+HCOO]- 311.088471 178.3
[M+CH3COO]- 325.104121 197.4
[M+Na-2H]- 287.064936 158.3
[M]+ 266.08972142 156.2
[M]- 266.09081858 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

literature stripe

Patent stripe

patents stripe