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 178.6
[M+Na]+ 346.18899 181.0
[M-H]- 322.19249 187.2
[M+NH4]+ 341.23359 192.2
[M+K]+ 362.16293 177.2
[M+H-H2O]+ 306.19703 168.2
[M+HCOO]- 368.19797 200.9
[M+CH3COO]- 382.21362 214.1
[M+Na-2H]- 344.17444 179.7
[M]+ 323.19922 175.7
[M]- 323.20032 175.7
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.