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 170.1
[M+Na]+ 314.09182 180.5
[M-H]- 290.09532 172.5
[M+NH4]+ 309.13642 185.0
[M+K]+ 330.06576 174.3
[M+H-H2O]+ 274.09986 159.2
[M+HCOO]- 336.10080 182.1
[M+CH3COO]- 350.11645 211.2
[M+Na-2H]- 312.07727 170.9
[M]+ 291.10205 168.7
[M]- 291.10315 168.7
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.