CID 3021212

N-(2-(p-chlorophenoxy)-1,2-dimethylpropyl)nicotinamide

Structural Information

Molecular Formula
C17H19ClN2O2
SMILES
CC(C(C)(C)OC1=CC=C(C=C1)Cl)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C17H19ClN2O2/c1-12(20-16(21)13-5-4-10-19-11-13)17(2,3)22-15-8-6-14(18)7-9-15/h4-12H,1-3H3,(H,20,21)
InChIKey
QWECKZUKTGXABA-UHFFFAOYSA-N
Compound name
N-[3-(4-chlorophenoxy)-3-methylbutan-2-yl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1135 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12078 173.6
[M+Na]+ 341.10272 179.7
[M-H]- 317.10622 178.6
[M+NH4]+ 336.14732 186.8
[M+K]+ 357.07666 175.2
[M+H-H2O]+ 301.11076 165.6
[M+HCOO]- 363.11170 189.1
[M+CH3COO]- 377.12735 208.0
[M+Na-2H]- 339.08817 177.8
[M]+ 318.11295 176.5
[M]- 318.11405 176.5
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.