CID 209550

3-(1-benzylpyrrolidin-3-yl)-1,1-diphenylurea

Structural Information

Molecular Formula
C24H25N3O
SMILES
C1CN(CC1NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H25N3O/c28-24(25-21-16-17-26(19-21)18-20-10-4-1-5-11-20)27(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,21H,16-19H2,(H,25,28)
InChIKey
DERGOIQEITWKQF-UHFFFAOYSA-N
Compound name
3-(1-benzylpyrrolidin-3-yl)-1,1-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.19977 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20705 189.0
[M+Na]+ 394.18899 190.7
[M-H]- 370.19249 200.3
[M+NH4]+ 389.23359 199.8
[M+K]+ 410.16293 185.6
[M+H-H2O]+ 354.19703 177.2
[M+HCOO]- 416.19797 211.0
[M+CH3COO]- 430.21362 197.6
[M+Na-2H]- 392.17444 190.4
[M]+ 371.19922 184.8
[M]- 371.20032 184.8
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