CID 42963

Lidofenin

Structural Information

Molecular Formula
C14H18N2O5
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C14H18N2O5/c1-9-4-3-5-10(2)14(9)15-11(17)6-16(7-12(18)19)8-13(20)21/h3-5H,6-8H2,1-2H3,(H,15,17)(H,18,19)(H,20,21)
InChIKey
DJQJFMSHHYAZJD-UHFFFAOYSA-N
Compound name
2-[carboxymethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3494
References

3883
Patents

294.12158 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.128856 166.6
[M+Na]+ 317.110798 170.8
[M-H]- 293.114304 168.7
[M+NH4]+ 312.155403 180.2
[M+K]+ 333.084738 170.2
[M+H-H2O]+ 277.118840 159.3
[M+HCOO]- 339.119781 187.6
[M+CH3COO]- 353.135431 207.4
[M+Na-2H]- 315.096246 166.1
[M]+ 294.12103142 168.1
[M]- 294.12212858 168.1
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