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 170.7
[M+Na]+ 325.10782 177.6
[M-H]- 301.11132 177.2
[M+NH4]+ 320.15242 185.6
[M+K]+ 341.08176 173.2
[M+H-H2O]+ 285.11586 162.6
[M+HCOO]- 347.11680 187.6
[M+CH3COO]- 361.13245 207.8
[M+Na-2H]- 323.09327 175.3
[M]+ 302.11805 174.1
[M]- 302.11915 174.1
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