CID 175698

Propanamide, n-(2-chlorophenyl)-2,2-dimethyl-n-(3-pyridinylmethyl)-

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
CC(C)(C)C(=O)N(CC1=CN=CC=C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C17H19ClN2O/c1-17(2,3)16(21)20(12-13-7-6-10-19-11-13)15-9-5-4-8-14(15)18/h4-11H,12H2,1-3H3
InChIKey
SIMWUAQMGNEHGG-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.1186 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12588 171.4
[M+Na]+ 325.10782 185.6
[M+NH4]+ 320.15242 179.6
[M+K]+ 341.08176 178.0
[M-H]- 301.11132 175.7
[M+Na-2H]- 323.09327 180.7
[M]+ 302.11805 175.1
[M]- 302.11915 175.1
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