CID 3070377

86398-57-4

Structural Information

Molecular Formula
C24H32ClN3O2
SMILES
CC(C)COCC(CN(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl)N3CCCC3
InChI
InChI=1S/C24H32ClN3O2/c1-19(2)17-30-18-23(27-13-6-7-14-27)16-28(22-11-4-3-5-12-22)24(29)26-21-10-8-9-20(25)15-21/h3-5,8-12,15,19,23H,6-7,13-14,16-18H2,1-2H3,(H,26,29)
InChIKey
WWIUGBOKNGJYAZ-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.2183 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.22558 207.3
[M+Na]+ 452.20752 207.8
[M-H]- 428.21102 215.1
[M+NH4]+ 447.25212 217.1
[M+K]+ 468.18146 203.4
[M+H-H2O]+ 412.21556 196.7
[M+HCOO]- 474.21650 221.8
[M+CH3COO]- 488.23215 233.0
[M+Na-2H]- 450.19297 203.6
[M]+ 429.21775 208.4
[M]- 429.21885 208.4
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.