CID 209544

1-(1-cyclohexyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)urea

Structural Information

Molecular Formula
C18H27N3O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2CCN(C2)C3CCCCC3
InChI
InChI=1S/C18H27N3O2/c1-23-17-9-7-14(8-10-17)19-18(22)20-15-11-12-21(13-15)16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-13H2,1H3,(H2,19,20,22)
InChIKey
FEFSEIPHMDRMSW-UHFFFAOYSA-N
Compound name
1-(1-cyclohexylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21033 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 175.6
[M+Na]+ 340.19955 176.5
[M-H]- 316.20305 182.3
[M+NH4]+ 335.24415 188.9
[M+K]+ 356.17349 173.1
[M+H-H2O]+ 300.20759 165.9
[M+HCOO]- 362.20853 194.0
[M+CH3COO]- 376.22418 209.3
[M+Na-2H]- 338.18500 175.0
[M]+ 317.20978 168.4
[M]- 317.21088 168.4
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

patents stripe