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]+ 364.23833 187.2
[M+Na]+ 386.22027 186.3
[M-H]- 362.22377 197.5
[M+NH4]+ 381.26487 198.2
[M+K]+ 402.19421 182.0
[M+H-H2O]+ 346.22831 175.6
[M+HCOO]- 408.22925 205.3
[M+CH3COO]- 422.24490 194.7
[M+Na-2H]- 384.20572 186.1
[M]+ 363.23050 178.4
[M]- 363.23160 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.