CID 209562

1-(1-isopropyl-3-pyrrolidinyl)-3-(p-methoxyphenyl)urea

Structural Information

Molecular Formula
C15H23N3O2
SMILES
CC(C)N1CCC(C1)NC(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H23N3O2/c1-11(2)18-9-8-13(10-18)17-15(19)16-12-4-6-14(20-3)7-5-12/h4-7,11,13H,8-10H2,1-3H3,(H2,16,17,19)
InChIKey
JIIGWQBOYHOOMD-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.17902 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.186296 166.7
[M+Na]+ 300.168238 170.4
[M-H]- 276.171744 171.6
[M+NH4]+ 295.212843 182.4
[M+K]+ 316.142178 168.3
[M+H-H2O]+ 260.176280 158.3
[M+HCOO]- 322.177221 188.0
[M+CH3COO]- 336.192871 204.2
[M+Na-2H]- 298.153686 166.9
[M]+ 277.17847142 164.6
[M]- 277.17956858 164.6
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.