CID 87987174

Schembl6403272

Structural Information

Molecular Formula
C15H22ClNO4S
SMILES
CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)CS(=O)(=O)Cl
InChI
InChI=1S/C15H22ClNO4S/c1-15(2,3)21-14(18)17-13(11-22(16,19)20)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,18)
InChIKey
HDCXHKWIDYRKIC-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-chlorosulfonyl-4-phenylbutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

347.0958 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10308 178.5
[M+Na]+ 370.08502 183.8
[M-H]- 346.08852 181.8
[M+NH4]+ 365.12962 192.7
[M+K]+ 386.05896 179.9
[M+H-H2O]+ 330.09306 172.9
[M+HCOO]- 392.09400 188.8
[M+CH3COO]- 406.10965 207.7
[M+Na-2H]- 368.07047 180.6
[M]+ 347.09525 185.1
[M]- 347.09635 185.1
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