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]+ 268.100206 159.5
[M+Na]+ 290.082148 165.9
[M-H]- 266.085654 163.0
[M+NH4]+ 285.126753 176.1
[M+K]+ 306.056088 162.4
[M+H-H2O]+ 250.090190 153.2
[M+HCOO]- 312.091131 176.2
[M+CH3COO]- 326.106781 197.2
[M+Na-2H]- 288.067596 160.8
[M]+ 267.09238142 162.3
[M]- 267.09347858 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.