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 169.6
[M+Na]+ 318.15768 172.9
[M-H]- 294.16118 178.7
[M+NH4]+ 313.20228 184.5
[M+K]+ 334.13162 169.7
[M+H-H2O]+ 278.16572 159.7
[M+HCOO]- 340.16666 192.6
[M+CH3COO]- 354.18231 208.1
[M+Na-2H]- 316.14313 171.8
[M]+ 295.16791 166.1
[M]- 295.16901 166.1
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.