CID 11792387

253426-70-9

Structural Information

Molecular Formula
C18H27NO4S
SMILES
CC(C)(C)OC(=O)NC(C1CCCCC1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO4S/c1-18(2,3)23-17(20)19-16(14-10-6-4-7-11-14)24(21,22)15-12-8-5-9-13-15/h5,8-9,12-14,16H,4,6-7,10-11H2,1-3H3,(H,19,20)
InChIKey
CHWYBOVSGSJNFE-UHFFFAOYSA-N
Compound name
tert-butyl N-[benzenesulfonyl(cyclohexyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

353.16608 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17336 182.5
[M+Na]+ 376.15530 184.1
[M-H]- 352.15880 187.3
[M+NH4]+ 371.19990 194.8
[M+K]+ 392.12924 181.7
[M+H-H2O]+ 336.16334 175.2
[M+HCOO]- 398.16428 193.4
[M+CH3COO]- 412.17993 210.0
[M+Na-2H]- 374.14075 183.8
[M]+ 353.16553 181.5
[M]- 353.16663 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe