CID 31879

Brn 0410548

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CCCN(C2)C
InChI
InChI=1S/C14H17ClN2O/c1-10-5-3-7-12(15)13(10)16-14(18)11-6-4-8-17(2)9-11/h3,5-7H,4,8-9H2,1-2H3,(H,16,18)
InChIKey
VUVCDUUGDWZDJX-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.10294 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 160.2
[M+Na]+ 287.09216 167.5
[M-H]- 263.09566 165.2
[M+NH4]+ 282.13676 176.2
[M+K]+ 303.06610 162.4
[M+H-H2O]+ 247.10020 152.8
[M+HCOO]- 309.10114 176.2
[M+CH3COO]- 323.11679 198.7
[M+Na-2H]- 285.07761 162.8
[M]+ 264.10239 159.5
[M]- 264.10349 159.5
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.