CID 3047611

F 1406

Structural Information

Molecular Formula
C16H18ClNO2
SMILES
CC1=CC(=CC(=C1OCC=C)C(=O)NC(C)(C)C#C)Cl
InChI
InChI=1S/C16H18ClNO2/c1-6-8-20-14-11(3)9-12(17)10-13(14)15(19)18-16(4,5)7-2/h2,6,9-10H,1,8H2,3-5H3,(H,18,19)
InChIKey
ANROBCCLOPSSRG-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-N-(2-methylbut-3-yn-2-yl)-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1026 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10988 163.8
[M+Na]+ 314.09182 175.3
[M+NH4]+ 309.13642 167.1
[M+K]+ 330.06576 166.1
[M-H]- 290.09532 157.0
[M+Na-2H]- 312.07727 165.6
[M]+ 291.10205 162.9
[M]- 291.10315 162.9
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.