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]+ 290.09422 176.6
[M+Na]+ 312.07616 185.2
[M+NH4]+ 307.12076 176.4
[M+K]+ 328.05010 175.3
[M-H]- 288.07966 165.4
[M+Na-2H]- 310.06161 174.8
[M]+ 289.08639 173.6
[M]- 289.08749 173.6
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.