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]+ 281.258736 172.2
[M+Na]+ 303.240678 169.7
[M-H]- 279.244184 176.9
[M+NH4]+ 298.285283 187.0
[M+K]+ 319.214618 168.2
[M+H-H2O]+ 263.248720 163.4
[M+HCOO]- 325.249661 188.7
[M+CH3COO]- 339.265311 207.2
[M+Na-2H]- 301.226126 171.3
[M]+ 280.25091142 163.4
[M]- 280.25200858 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