CID 209638

20070-52-4

Structural Information

Molecular Formula
C23H29N3O
SMILES
C1CCC(CC1)N2CCC(C2)NC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H29N3O/c27-23(24-19-16-17-25(18-19)20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-9,12-15,19-20H,1,4-5,10-11,16-18H2,(H,24,27)
InChIKey
OHYJJXALNJXRFW-UHFFFAOYSA-N
Compound name
3-(1-cyclohexylpyrrolidin-3-yl)-1,1-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.23105 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.238326 187.2
[M+Na]+ 386.220268 186.3
[M-H]- 362.223774 197.5
[M+NH4]+ 381.264873 198.2
[M+K]+ 402.194208 182.0
[M+H-H2O]+ 346.228310 175.6
[M+HCOO]- 408.229251 205.3
[M+CH3COO]- 422.244901 194.7
[M+Na-2H]- 384.205716 186.1
[M]+ 363.23050142 178.4
[M]- 363.23159858 178.4
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.