CID 3025289

Urea, 1-(2-chloroethyl)-3-(1,3-diphenyl-2-propyl)-

Structural Information

Molecular Formula
C18H21ClN2O
SMILES
C1=CC=C(C=C1)CCC(C2=CC=CC=C2)NC(=O)NCCCl
InChI
InChI=1S/C18H21ClN2O/c19-13-14-20-18(22)21-17(16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H2,20,21,22)
InChIKey
POYLYCHKKBJWQK-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(1,3-diphenylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13425 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14153 175.9
[M+Na]+ 339.12347 179.6
[M-H]- 315.12697 181.2
[M+NH4]+ 334.16807 189.9
[M+K]+ 355.09741 173.7
[M+H-H2O]+ 299.13151 167.9
[M+HCOO]- 361.13245 194.9
[M+CH3COO]- 375.14810 209.1
[M+Na-2H]- 337.10892 179.6
[M]+ 316.13370 176.6
[M]- 316.13480 176.6
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.