CID 210039

Benzamide, n-allyl-p-(isopropylsulfonyl)-

Structural Information

Molecular Formula
C13H17NO3S
SMILES
CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC=C
InChI
InChI=1S/C13H17NO3S/c1-4-9-14-13(15)11-5-7-12(8-6-11)18(16,17)10(2)3/h4-8,10H,1,9H2,2-3H3,(H,14,15)
InChIKey
RGWIQYRKLLGCRG-UHFFFAOYSA-N
Compound name
4-propan-2-ylsulfonyl-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09293 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10021 161.5
[M+Na]+ 290.08215 170.7
[M+NH4]+ 285.12675 167.4
[M+K]+ 306.05609 164.3
[M-H]- 266.08565 161.5
[M+Na-2H]- 288.06760 165.2
[M]+ 267.09238 163.0
[M]- 267.09348 163.0
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.