CID 3060904

C 3216

Structural Information

Molecular Formula
C20H32ClN3O
SMILES
CCN(CC)CCN(C1CCCCC1)C(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C20H32ClN3O/c1-4-23(5-2)14-15-24(17-11-7-6-8-12-17)20(25)22-19-16(3)10-9-13-18(19)21/h9-10,13,17H,4-8,11-12,14-15H2,1-3H3,(H,22,25)
InChIKey
OQRCROCXRKYHKY-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-methylphenyl)-1-cyclohexyl-1-[2-(diethylamino)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2234 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.23068 193.4
[M+Na]+ 388.21262 194.8
[M-H]- 364.21612 200.7
[M+NH4]+ 383.25722 206.8
[M+K]+ 404.18656 191.5
[M+H-H2O]+ 348.22066 184.7
[M+HCOO]- 410.22160 210.3
[M+CH3COO]- 424.23725 229.3
[M+Na-2H]- 386.19807 191.6
[M]+ 365.22285 193.8
[M]- 365.22395 193.8
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.