CID 2913309

1-(4-chloro-phenyl)-3-(2-(3-(4-chloro-phenyl)-ureido)-cyclohexyl)-urea

Structural Information

Molecular Formula
C20H22Cl2N4O2
SMILES
C1CCC(C(C1)NC(=O)NC2=CC=C(C=C2)Cl)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22Cl2N4O2/c21-13-5-9-15(10-6-13)23-19(27)25-17-3-1-2-4-18(17)26-20(28)24-16-11-7-14(22)8-12-16/h5-12,17-18H,1-4H2,(H2,23,25,27)(H2,24,26,28)
InChIKey
FNGBRYAGRVPKBR-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[2-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.11197 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11925 197.8
[M+Na]+ 443.10119 200.8
[M-H]- 419.10469 205.5
[M+NH4]+ 438.14579 207.6
[M+K]+ 459.07513 194.4
[M+H-H2O]+ 403.10923 189.6
[M+HCOO]- 465.11017 210.7
[M+CH3COO]- 479.12582 230.2
[M+Na-2H]- 441.08664 198.5
[M]+ 420.11142 195.1
[M]- 420.11252 195.1
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.