CID 209552

19985-27-4

Structural Information

Molecular Formula
C17H19N3O
SMILES
C1CNCC1NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H19N3O/c21-17(19-14-11-12-18-13-14)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13H2,(H,19,21)
InChIKey
IJIKSCJYMQDCIM-UHFFFAOYSA-N
Compound name
1,1-diphenyl-3-pyrrolidin-3-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 164.3
[M+Na]+ 304.14202 166.7
[M-H]- 280.14552 171.7
[M+NH4]+ 299.18662 178.7
[M+K]+ 320.11596 162.8
[M+H-H2O]+ 264.15006 154.6
[M+HCOO]- 326.15100 186.2
[M+CH3COO]- 340.16665 174.3
[M+Na-2H]- 302.12747 167.5
[M]+ 281.15225 158.3
[M]- 281.15335 158.3
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