CID 22950818

Dtxsid50889261

Structural Information

Molecular Formula
C27H30N4O2
SMILES
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C27H30N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h1,3-4,7-8,11-18,23H,2,5-6,9-10,19H2,(H2,28,30,32)(H2,29,31,33)
InChIKey
MRYQRFJCBJEBOA-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[[4-(phenylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

442.23688 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24416 203.3
[M+Na]+ 465.22610 201.9
[M-H]- 441.22960 213.4
[M+NH4]+ 460.27070 209.4
[M+K]+ 481.20004 196.4
[M+H-H2O]+ 425.23414 191.2
[M+HCOO]- 487.23508 224.1
[M+CH3COO]- 501.25073 238.4
[M+Na-2H]- 463.21155 205.5
[M]+ 442.23633 195.3
[M]- 442.23743 195.3
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

patents stripe