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 199.4
[M+Na]+ 418.24648 198.1
[M-H]- 394.24998 207.0
[M+NH4]+ 413.29108 209.4
[M+K]+ 434.22042 195.5
[M+H-H2O]+ 378.25452 188.2
[M+HCOO]- 440.25546 218.4
[M+CH3COO]- 454.27111 228.4
[M+Na-2H]- 416.23193 197.0
[M]+ 395.25671 197.7
[M]- 395.25781 197.7
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.