CID 387033

Nsc680353

Structural Information

Molecular Formula
C20H23N3O3
SMILES
CC(C(=O)NC1=CC=CC=C1)C(=O)NC(C)NC(=O)CC2=CC=CC=C2
InChI
InChI=1S/C20H23N3O3/c1-14(20(26)23-17-11-7-4-8-12-17)19(25)22-15(2)21-18(24)13-16-9-5-3-6-10-16/h3-12,14-15H,13H2,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKey
NWUCXYJTNFIILW-UHFFFAOYSA-N
Compound name
2-methyl-N-phenyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

353.17395 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 186.3
[M+Na]+ 376.16317 186.9
[M-H]- 352.16667 191.7
[M+NH4]+ 371.20777 196.9
[M+K]+ 392.13711 184.7
[M+H-H2O]+ 336.17121 176.8
[M+HCOO]- 398.17215 207.9
[M+CH3COO]- 412.18780 221.4
[M+Na-2H]- 374.14862 186.5
[M]+ 353.17340 184.1
[M]- 353.17450 184.1
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

patents stripe