CID 3070385

N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-n'-phenylurea

Structural Information

Molecular Formula
C18H29N3O2
SMILES
CC(C)COCC(CNC(=O)NC1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C18H29N3O2/c1-15(2)13-23-14-17(21-10-6-7-11-21)12-19-18(22)20-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3,(H2,19,20,22)
InChIKey
FJPPTPWPFGTZNA-UHFFFAOYSA-N
Compound name
1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.22598 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23326 180.2
[M+Na]+ 342.21520 180.4
[M-H]- 318.21870 183.8
[M+NH4]+ 337.25980 193.4
[M+K]+ 358.18914 178.2
[M+H-H2O]+ 302.22324 170.7
[M+HCOO]- 364.22418 199.5
[M+CH3COO]- 378.23983 211.6
[M+Na-2H]- 340.20065 179.1
[M]+ 319.22543 177.7
[M]- 319.22653 177.7
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.