CID 3063806

101626-78-2

Structural Information

Molecular Formula
C24H24N2O3
SMILES
CC1=C(C=C(C=C1)NC(=O)CN(CC2=CC=CC=C2)CC(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C24H24N2O3/c1-18-12-13-21(14-22(18)20-10-6-3-7-11-20)25-23(27)16-26(17-24(28)29)15-19-8-4-2-5-9-19/h2-14H,15-17H2,1H3,(H,25,27)(H,28,29)
InChIKey
YUUDWDRNFQCONE-UHFFFAOYSA-N
Compound name
2-[benzyl-[2-(4-methyl-3-phenylanilino)-2-oxoethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.18596 196.4
[M+Na]+ 411.16790 208.9
[M+NH4]+ 406.21250 202.8
[M+K]+ 427.14184 201.3
[M-H]- 387.17140 202.9
[M+Na-2H]- 409.15335 205.8
[M]+ 388.17813 199.9
[M]- 388.17923 199.9
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.