CID 989457

1,1'-(4-methyl-1,3-phenylene)bis(3-cyclohexylurea)

Structural Information

Molecular Formula
C21H32N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2CCCCC2)NC(=O)NC3CCCCC3
InChI
InChI=1S/C21H32N4O2/c1-15-12-13-18(24-20(26)22-16-8-4-2-5-9-16)14-19(15)25-21(27)23-17-10-6-3-7-11-17/h12-14,16-17H,2-11H2,1H3,(H2,22,24,26)(H2,23,25,27)
InChIKey
HPXDPGYXBPZJPD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[3-(cyclohexylcarbamoylamino)-4-methylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.25253 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.25981 187.8
[M+Na]+ 395.24175 185.1
[M-H]- 371.24525 194.6
[M+NH4]+ 390.28635 197.4
[M+K]+ 411.21569 181.7
[M+H-H2O]+ 355.24979 177.7
[M+HCOO]- 417.25073 205.4
[M+CH3COO]- 431.26638 225.9
[M+Na-2H]- 393.22720 187.4
[M]+ 372.25198 176.3
[M]- 372.25308 176.3
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.