CID 3047612

F 1407

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
CC1=CC(=CC(=C1OCC#C)C(=O)NC(C)(C)C#C)Cl
InChI
InChI=1S/C16H16ClNO2/c1-6-8-20-14-11(3)9-12(17)10-13(14)15(19)18-16(4,5)7-2/h1-2,9-10H,8H2,3-5H3,(H,18,19)
InChIKey
ZNKNWEAUSKPUOD-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-N-(2-methylbut-3-yn-2-yl)-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08694 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.094216 174.9
[M+Na]+ 312.076158 185.5
[M-H]- 288.079664 177.3
[M+NH4]+ 307.120763 185.8
[M+K]+ 328.050098 179.6
[M+H-H2O]+ 272.084200 161.6
[M+HCOO]- 334.085141 180.4
[M+CH3COO]- 348.100791 223.3
[M+Na-2H]- 310.061606 173.7
[M]+ 289.08639142 169.1
[M]- 289.08748858 169.1
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

No patent data available for this compound.