CID 4421619

3-butyl-1,1-dibenzylurea

Structural Information

Molecular Formula
C19H24N2O
SMILES
CCCCNC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C19H24N2O/c1-2-3-14-20-19(22)21(15-17-10-6-4-7-11-17)16-18-12-8-5-9-13-18/h4-13H,2-3,14-16H2,1H3,(H,20,22)
InChIKey
BHMLPLRKXCLUFV-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-butylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

296.18887 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 173.7
[M+Na]+ 319.17809 176.6
[M-H]- 295.18159 180.5
[M+NH4]+ 314.22269 188.3
[M+K]+ 335.15203 173.2
[M+H-H2O]+ 279.18613 164.4
[M+HCOO]- 341.18707 198.3
[M+CH3COO]- 355.20272 210.9
[M+Na-2H]- 317.16354 177.8
[M]+ 296.18832 174.2
[M]- 296.18942 174.2
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

patents stripe