CID 283555

N-[4-(methylamino)-benzoyl]-l-glutamic acid

Structural Information

Molecular Formula
C13H16N2O5
SMILES
CNC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O
InChI
InChI=1S/C13H16N2O5/c1-14-9-4-2-8(3-5-9)12(18)15-10(13(19)20)6-7-11(16)17/h2-5,10,14H,6-7H2,1H3,(H,15,18)(H,16,17)(H,19,20)
InChIKey
UFBUCKLNZUNJHS-UHFFFAOYSA-N
Compound name
2-[[4-(methylamino)benzoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

68
Patents

280.10593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.113206 162.7
[M+Na]+ 303.095148 166.1
[M-H]- 279.098654 163.2
[M+NH4]+ 298.139753 175.9
[M+K]+ 319.069088 164.8
[M+H-H2O]+ 263.103190 155.6
[M+HCOO]- 325.104131 182.6
[M+CH3COO]- 339.119781 200.8
[M+Na-2H]- 301.080596 162.9
[M]+ 280.10538142 161.5
[M]- 280.10647858 161.5
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