CID 64589

116943-76-1

Structural Information

Molecular Formula
C14H23ClN2O4S
SMILES
C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)CNC(=O)OCCCl
InChI
InChI=1S/C14H23ClN2O4S/c15-1-2-21-13(18)16-9-22(19,20)17-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12,17H,1-9H2,(H,16,18)
InChIKey
XWBDOMKCUBLPCT-UHFFFAOYSA-N
Compound name
2-chloroethyl N-(1-adamantylsulfamoylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.10672 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.11400 174.5
[M+Na]+ 373.09594 174.9
[M-H]- 349.09944 168.0
[M+NH4]+ 368.14054 194.9
[M+K]+ 389.06988 172.7
[M+H-H2O]+ 333.10398 171.6
[M+HCOO]- 395.10492 172.7
[M+CH3COO]- 409.12057 216.3
[M+Na-2H]- 371.08139 186.8
[M]+ 350.10617 181.2
[M]- 350.10727 181.2
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

No patent data available for this compound.