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 194.9
[M+Na]+ 411.16790 197.6
[M-H]- 387.17140 203.6
[M+NH4]+ 406.21250 204.4
[M+K]+ 427.14184 193.4
[M+H-H2O]+ 371.17594 184.2
[M+HCOO]- 433.17688 216.9
[M+CH3COO]- 447.19253 226.7
[M+Na-2H]- 409.15335 196.0
[M]+ 388.17813 194.8
[M]- 388.17923 194.8
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.