CID 22558

Guanidine, 1-benzyl-2,3-dicyclohexyl-, hydrochloride

Structural Information

Molecular Formula
C20H31N3
SMILES
C1CCC(CC1)NC(=NCC2=CC=CC=C2)NC3CCCCC3
InChI
InChI=1S/C20H31N3/c1-4-10-17(11-5-1)16-21-20(22-18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H2,21,22,23)
InChIKey
NXPDAEGDDOQXPD-UHFFFAOYSA-N
Compound name
2-benzyl-1,3-dicyclohexylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

313.2518 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.259076 175.2
[M+Na]+ 336.241018 172.3
[M-H]- 312.244524 182.7
[M+NH4]+ 331.285623 187.8
[M+K]+ 352.214958 168.3
[M+H-H2O]+ 296.249060 164.8
[M+HCOO]- 358.250001 194.0
[M+CH3COO]- 372.265651 213.5
[M+Na-2H]- 334.226466 177.3
[M]+ 313.25125142 163.4
[M]- 313.25234858 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