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 159.5
[M+Na]+ 290.08215 165.9
[M-H]- 266.08565 163.0
[M+NH4]+ 285.12675 176.1
[M+K]+ 306.05609 162.4
[M+H-H2O]+ 250.09019 153.2
[M+HCOO]- 312.09113 176.2
[M+CH3COO]- 326.10678 197.2
[M+Na-2H]- 288.06760 160.8
[M]+ 267.09238 162.3
[M]- 267.09348 162.3
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.