CID 209546

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

Structural Information

Molecular Formula
C18H21N3O
SMILES
CN1CCC(C1)NC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3O/c1-20-13-12-15(14-20)19-18(22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,19,22)
InChIKey
TUEBKYWYOWCPLP-UHFFFAOYSA-N
Compound name
3-(1-methylpyrrolidin-3-yl)-1,1-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.16846 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 171.9
[M+Na]+ 318.15768 183.1
[M+NH4]+ 313.20228 180.1
[M+K]+ 334.13162 177.7
[M-H]- 294.16118 178.4
[M+Na-2H]- 316.14313 181.1
[M]+ 295.16791 175.1
[M]- 295.16901 175.1
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.