CID 209644

3-methyl-1-(1-phenethyl-3-pyrrolidinyl)-1-phenyl-urea fumarate

Structural Information

Molecular Formula
C20H25N3O
SMILES
CNC(=O)N(C1CCN(C1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H25N3O/c1-21-20(24)23(18-10-6-3-7-11-18)19-13-15-22(16-19)14-12-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3,(H,21,24)
InChIKey
WTJGSVWIWKMFJD-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-1-[1-(2-phenylethyl)pyrrolidin-3-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.20705 180.9
[M+Na]+ 346.18899 191.6
[M+NH4]+ 341.23359 188.7
[M+K]+ 362.16293 185.8
[M-H]- 322.19249 187.3
[M+Na-2H]- 344.17444 189.5
[M]+ 323.19922 184.0
[M]- 323.20032 184.0
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.

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No patent data available for this compound.