CID 3070383

N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-n,n'-diphenylurea (e)-2-butenedioate

Structural Information

Molecular Formula
C24H33N3O2
SMILES
CC(C)COCC(CN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2)N3CCCC3
InChI
InChI=1S/C24H33N3O2/c1-20(2)18-29-19-23(26-15-9-10-16-26)17-27(22-13-7-4-8-14-22)24(28)25-21-11-5-3-6-12-21/h3-8,11-14,20,23H,9-10,15-19H2,1-2H3,(H,25,28)
InChIKey
MLMOFZVYNHJDDE-UHFFFAOYSA-N
Compound name
1-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.25726 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.26454 200.3
[M+Na]+ 418.24648 208.5
[M+NH4]+ 413.29108 206.5
[M+K]+ 434.22042 203.8
[M-H]- 394.24998 205.5
[M+Na-2H]- 416.23193 207.0
[M]+ 395.25671 202.5
[M]- 395.25781 202.5
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.