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

3
Patents

241.07727 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08455 153.5
[M+Na]+ 264.06649 163.1
[M+NH4]+ 259.11109 160.1
[M+K]+ 280.04043 157.3
[M-H]- 240.06999 153.9
[M+Na-2H]- 262.05194 157.9
[M]+ 241.07672 155.2
[M]- 241.07782 155.2
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