CID 3053393

Brn 0415833

Structural Information

Molecular Formula
C16H17ClN2O2
SMILES
CC(C)(CNC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H17ClN2O2/c1-16(2,21-14-7-5-13(17)6-8-14)11-19-15(20)12-4-3-9-18-10-12/h3-10H,11H2,1-2H3,(H,19,20)
InChIKey
YCVYWVVILQKISD-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenoxy)-2-methylpropyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.09787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10515 169.7
[M+Na]+ 327.08709 176.6
[M-H]- 303.09059 174.7
[M+NH4]+ 322.13169 183.6
[M+K]+ 343.06103 171.7
[M+H-H2O]+ 287.09513 161.7
[M+HCOO]- 349.09607 186.5
[M+CH3COO]- 363.11172 204.1
[M+Na-2H]- 325.07254 175.5
[M]+ 304.09732 172.8
[M]- 304.09842 172.8
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.