CID 1720686

3-methyl-n-[2-[(3-methylbenzoyl)amino]ethyl]benzamide

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CC1=CC(=CC=C1)C(=O)NCCNC(=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C18H20N2O2/c1-13-5-3-7-15(11-13)17(21)19-9-10-20-18(22)16-8-4-6-14(2)12-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)(H,20,22)
InChIKey
KRIWMOQZFUZLHN-UHFFFAOYSA-N
Compound name
3-methyl-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.159746 171.2
[M+Na]+ 319.141688 176.2
[M-H]- 295.145194 177.7
[M+NH4]+ 314.186293 185.6
[M+K]+ 335.115628 172.4
[M+H-H2O]+ 279.149730 162.7
[M+HCOO]- 341.150671 195.1
[M+CH3COO]- 355.166321 209.2
[M+Na-2H]- 317.127136 174.0
[M]+ 296.15192142 171.1
[M]- 296.15301858 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.