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]+ 368.196876 190.8
[M+Na]+ 390.178818 190.9
[M-H]- 366.182324 195.9
[M+NH4]+ 385.223423 200.8
[M+K]+ 406.152758 188.5
[M+H-H2O]+ 350.186860 181.1
[M+HCOO]- 412.187801 212.0
[M+CH3COO]- 426.203451 224.4
[M+Na-2H]- 388.164266 190.4
[M]+ 367.18905142 188.9
[M]- 367.19014858 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.