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

3492
References

3561
Patents

294.12158 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12886 167.4
[M+Na]+ 317.11080 174.2
[M+NH4]+ 312.15540 171.0
[M+K]+ 333.08474 172.2
[M-H]- 293.11430 166.3
[M+Na-2H]- 315.09625 169.0
[M]+ 294.12103 167.3
[M]- 294.12213 167.3
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