CID 387032

Nsc680352

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CC(C(=O)NCC1=CC=CC=C1)C(=O)NC(C)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C21H25N3O3/c1-15(20(26)22-14-18-11-7-4-8-12-18)21(27)24-16(2)23-19(25)13-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKey
SHYYRCZBCBGHIY-UHFFFAOYSA-N
Compound name
N-benzyl-2-methyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1896 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19688 190.8
[M+Na]+ 390.17882 190.9
[M-H]- 366.18232 195.9
[M+NH4]+ 385.22342 200.8
[M+K]+ 406.15276 188.5
[M+H-H2O]+ 350.18686 181.1
[M+HCOO]- 412.18780 212.0
[M+CH3COO]- 426.20345 224.4
[M+Na-2H]- 388.16427 190.4
[M]+ 367.18905 188.9
[M]- 367.19015 188.9
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.