CID 306516

3-butyl-1,1-dicyclohexylurea

Structural Information

Molecular Formula
C17H32N2O
SMILES
CCCCNC(=O)N(C1CCCCC1)C2CCCCC2
InChI
InChI=1S/C17H32N2O/c1-2-3-14-18-17(20)19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h15-16H,2-14H2,1H3,(H,18,20)
InChIKey
JJFXMXSFXSGNJY-UHFFFAOYSA-N
Compound name
3-butyl-1,1-dicyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.25146 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.25874 172.2
[M+Na]+ 303.24068 169.7
[M-H]- 279.24418 176.9
[M+NH4]+ 298.28528 187.0
[M+K]+ 319.21462 168.2
[M+H-H2O]+ 263.24872 163.4
[M+HCOO]- 325.24966 188.7
[M+CH3COO]- 339.26531 207.2
[M+Na-2H]- 301.22613 171.3
[M]+ 280.25091 163.4
[M]- 280.25201 163.4
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

patents stripe