CID 5185431

1,1-dibutyl-3-(4-isopropyl-phenyl)-urea

Structural Information

Molecular Formula
C18H30N2O
SMILES
CCCCN(CCCC)C(=O)NC1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C18H30N2O/c1-5-7-13-20(14-8-6-2)18(21)19-17-11-9-16(10-12-17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3,(H,19,21)
InChIKey
ALSBFRUBAAFKOV-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-(4-propan-2-ylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

290.2358 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 177.0
[M+Na]+ 313.22502 179.8
[M-H]- 289.22852 180.8
[M+NH4]+ 308.26962 192.7
[M+K]+ 329.19896 177.9
[M+H-H2O]+ 273.23306 168.9
[M+HCOO]- 335.23400 199.5
[M+CH3COO]- 349.24965 214.4
[M+Na-2H]- 311.21047 176.8
[M]+ 290.23525 179.6
[M]- 290.23635 179.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe