CID 58238472

1-butyl-2,3-dicyclohexyl-1-methylguanidine

Structural Information

Molecular Formula
C18H35N3
SMILES
CCCCN(C)C(=NC1CCCCC1)NC2CCCCC2
InChI
InChI=1S/C18H35N3/c1-3-4-15-21(2)18(19-16-11-7-5-8-12-16)20-17-13-9-6-10-14-17/h16-17H,3-15H2,1-2H3,(H,19,20)
InChIKey
LMNVQOAKGDJQPF-UHFFFAOYSA-N
Compound name
1-butyl-2,3-dicyclohexyl-1-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

293.2831 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.29038 176.4
[M+Na]+ 316.27232 173.2
[M-H]- 292.27582 182.2
[M+NH4]+ 311.31692 191.1
[M+K]+ 332.24626 171.8
[M+H-H2O]+ 276.28036 166.9
[M+HCOO]- 338.28130 194.9
[M+CH3COO]- 352.29695 215.1
[M+Na-2H]- 314.25777 175.8
[M]+ 293.28255 167.6
[M]- 293.28365 167.6
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