CID 209644

Urea, 3-methyl-1-(1-phenethyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)

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]+ 324.207046 178.6
[M+Na]+ 346.188988 181.0
[M-H]- 322.192494 187.2
[M+NH4]+ 341.233593 192.2
[M+K]+ 362.162928 177.2
[M+H-H2O]+ 306.197030 168.2
[M+HCOO]- 368.197971 200.9
[M+CH3COO]- 382.213621 214.1
[M+Na-2H]- 344.174436 179.7
[M]+ 323.19922142 175.7
[M]- 323.20031858 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.