CID 387031

Nsc680351

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CC(C(=O)NC1=CC=CC=C1)C(=O)NC(C)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H21N3O3/c1-13(18(24)22-16-11-7-4-8-12-16)17(23)20-14(2)21-19(25)15-9-5-3-6-10-15/h3-14H,1-2H3,(H,20,23)(H,21,25)(H,22,24)
InChIKey
XYKCQPPBYPGXBC-UHFFFAOYSA-N
Compound name
N'-(1-benzamidoethyl)-2-methyl-N-phenylpropanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 181.8
[M+Na]+ 362.14752 182.8
[M-H]- 338.15102 187.4
[M+NH4]+ 357.19212 193.0
[M+K]+ 378.12146 180.8
[M+H-H2O]+ 322.15556 172.5
[M+HCOO]- 384.15650 203.7
[M+CH3COO]- 398.17215 218.5
[M+Na-2H]- 360.13297 182.5
[M]+ 339.15775 179.3
[M]- 339.15885 179.3
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.