CID 112361

Einecs 274-321-1

Structural Information

Molecular Formula
C21H43ClN2O3S
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)NS(=O)(=O)CCCl
InChI
InChI=1S/C21H43ClN2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(25)24-28(26,27)20-18-22/h2-20H2,1H3,(H2,23,24,25)
InChIKey
UGURZQIXJUOTML-UHFFFAOYSA-N
Compound name
1-(2-chloroethylsulfonyl)-3-octadecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

438.26828 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.27556 210.5
[M+Na]+ 461.25750 210.9
[M-H]- 437.26100 208.1
[M+NH4]+ 456.30210 220.8
[M+K]+ 477.23144 204.1
[M+H-H2O]+ 421.26554 203.3
[M+HCOO]- 483.26648 220.3
[M+CH3COO]- 497.28213 232.2
[M+Na-2H]- 459.24295 207.3
[M]+ 438.26773 220.3
[M]- 438.26883 220.3
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