CID 387038

Nsc680358

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CC(C(=O)NCNC(=O)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H19N3O3/c1-13(17(23)21-15-10-6-3-7-11-15)16(22)19-12-20-18(24)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,22)(H,20,24)(H,21,23)
InChIKey
OWHKWSDQTKMLLS-UHFFFAOYSA-N
Compound name
N'-(benzamidomethyl)-2-methyl-N-phenylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 177.0
[M+Na]+ 348.13186 178.7
[M-H]- 324.13536 182.7
[M+NH4]+ 343.17646 188.8
[M+K]+ 364.10580 176.2
[M+H-H2O]+ 308.13990 167.7
[M+HCOO]- 370.14084 200.2
[M+CH3COO]- 384.15649 214.6
[M+Na-2H]- 346.11731 179.4
[M]+ 325.14209 174.6
[M]- 325.14319 174.6
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.