CID 3047610

F 1405

Structural Information

Molecular Formula
C14H16ClNO2
SMILES
CC1=CC(=CC(=C1OC)C(=O)NC(C)(C)C#C)Cl
InChI
InChI=1S/C14H16ClNO2/c1-6-14(3,4)16-13(17)11-8-10(15)7-9(2)12(11)18-5/h1,7-8H,2-5H3,(H,16,17)
InChIKey
CVEQNLPROKMYAD-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.08694 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09422 162.1
[M+Na]+ 288.07616 173.0
[M-H]- 264.07966 164.8
[M+NH4]+ 283.12076 178.1
[M+K]+ 304.05010 167.9
[M+H-H2O]+ 248.08420 151.5
[M+HCOO]- 310.08514 174.5
[M+CH3COO]- 324.10079 206.7
[M+Na-2H]- 286.06161 163.9
[M]+ 265.08639 160.7
[M]- 265.08749 160.7
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.