CID 133052791

Mef-glu

Structural Information

Molecular Formula
C20H22N2O5
SMILES
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)NC(CCC(=O)O)C(=O)O)C
InChI
InChI=1S/C20H22N2O5/c1-12-6-5-9-15(13(12)2)21-16-8-4-3-7-14(16)19(25)22-17(20(26)27)10-11-18(23)24/h3-9,17,21H,10-11H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)
InChIKey
HLEKOHRJHVCEKY-UHFFFAOYSA-N
Compound name
2-[[2-(2,3-dimethylanilino)benzoyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15286 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.160136 187.3
[M+Na]+ 393.142078 190.4
[M-H]- 369.145584 191.0
[M+NH4]+ 388.186683 196.8
[M+K]+ 409.116018 187.6
[M+H-H2O]+ 353.150120 178.8
[M+HCOO]- 415.151061 206.2
[M+CH3COO]- 429.166711 220.5
[M+Na-2H]- 391.127526 185.4
[M]+ 370.15231142 187.0
[M]- 370.15340858 187.0
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.