CID 367947

Nsc638151

Structural Information

Molecular Formula
C18H27NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C(C)CCC=C)C(=O)OC(C)(C)C
InChI
InChI=1S/C18H27NO4S/c1-7-8-9-15(3)19(17(20)23-18(4,5)6)24(21,22)16-12-10-14(2)11-13-16/h7,10-13,15H,1,8-9H2,2-6H3
InChIKey
XJXNQSXNZHNNMH-UHFFFAOYSA-N
Compound name
tert-butyl N-hex-5-en-2-yl-N-(4-methylphenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16608 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17336 183.1
[M+Na]+ 376.15530 187.8
[M-H]- 352.15880 187.5
[M+NH4]+ 371.19990 196.9
[M+K]+ 392.12924 185.9
[M+H-H2O]+ 336.16334 176.2
[M+HCOO]- 398.16428 197.4
[M+CH3COO]- 412.17993 216.6
[M+Na-2H]- 374.14075 183.1
[M]+ 353.16553 189.8
[M]- 353.16663 189.8
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

No patent data available for this compound.