CID 210042

Benzamide, n-isopropyl-p-(methylsulfonyl)-

Structural Information

Molecular Formula
C11H15NO3S
SMILES
CC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)C
InChI
InChI=1S/C11H15NO3S/c1-8(2)12-11(13)9-4-6-10(7-5-9)16(3,14)15/h4-8H,1-3H3,(H,12,13)
InChIKey
CRGIDUSENXTYBZ-UHFFFAOYSA-N
Compound name
4-methylsulfonyl-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

241.07727 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.084546 151.6
[M+Na]+ 264.066488 158.6
[M-H]- 240.069994 155.5
[M+NH4]+ 259.111093 169.3
[M+K]+ 280.040428 156.2
[M+H-H2O]+ 224.074530 145.6
[M+HCOO]- 286.075471 168.7
[M+CH3COO]- 300.091121 192.1
[M+Na-2H]- 262.051936 153.9
[M]+ 241.07672142 154.3
[M]- 241.07781858 154.3
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

patents stripe