CID 20838004

1-(2-chloroethyl)-3-oleylurea

Structural Information

Molecular Formula
C21H41ClN2O
SMILES
CCCCCCCC/C=C\CCCCCCCCNC(=O)NCCCl
InChI
InChI=1S/C21H41ClN2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(25)24-20-18-22/h9-10H,2-8,11-20H2,1H3,(H2,23,24,25)/b10-9-
InChIKey
CUGAVRCBULMRIZ-KTKRTIGZSA-N
Compound name
1-(2-chloroethyl)-3-[(Z)-octadec-9-enyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.29074 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.29802 201.9
[M+Na]+ 395.27996 202.4
[M-H]- 371.28346 199.3
[M+NH4]+ 390.32456 214.6
[M+K]+ 411.25390 195.8
[M+H-H2O]+ 355.28800 194.7
[M+HCOO]- 417.28894 217.9
[M+CH3COO]- 431.30459 224.7
[M+Na-2H]- 393.26541 199.7
[M]+ 372.29019 208.2
[M]- 372.29129 208.2
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.