CID 216698

Brn 2126708

Structural Information

Molecular Formula
C16H29ClN2O
SMILES
C1CCC(CC1)CC2CCC(CC2)NC(=O)NCCCl
InChI
InChI=1S/C16H29ClN2O/c17-10-11-18-16(20)19-15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h13-15H,1-12H2,(H2,18,19,20)
InChIKey
YLNNHKVIBWWYBV-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[4-(cyclohexylmethyl)cyclohexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.19684 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.20412 175.2
[M+Na]+ 323.18606 174.9
[M-H]- 299.18956 178.9
[M+NH4]+ 318.23066 189.8
[M+K]+ 339.16000 170.2
[M+H-H2O]+ 283.19410 167.8
[M+HCOO]- 345.19504 187.1
[M+CH3COO]- 359.21069 205.7
[M+Na-2H]- 321.17151 174.4
[M]+ 300.19629 167.4
[M]- 300.19739 167.4
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