CID 209548

19985-24-1

Structural Information

Molecular Formula
C18H21N3O
SMILES
C1CN(CC1NC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C18H21N3O/c22-18(19-16-9-5-2-6-10-16)20-17-11-12-21(14-17)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H2,19,20,22)
InChIKey
RKROQEVUVQKKGT-UHFFFAOYSA-N
Compound name
1-(1-benzylpyrrolidin-3-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 168.7
[M+Na]+ 318.15768 171.9
[M-H]- 294.16118 176.2
[M+NH4]+ 313.20228 182.9
[M+K]+ 334.13162 167.2
[M+H-H2O]+ 278.16572 158.8
[M+HCOO]- 340.16666 191.2
[M+CH3COO]- 354.18231 178.7
[M+Na-2H]- 316.14313 171.7
[M]+ 295.16791 164.0
[M]- 295.16901 164.0
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.

Patent stripe

patents stripe