CID 22558

6182-00-9

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

17
Patents

313.2518 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.25908 175.2
[M+Na]+ 336.24102 172.3
[M-H]- 312.24452 182.7
[M+NH4]+ 331.28562 187.8
[M+K]+ 352.21496 168.3
[M+H-H2O]+ 296.24906 164.8
[M+HCOO]- 358.25000 194.0
[M+CH3COO]- 372.26565 213.5
[M+Na-2H]- 334.22647 177.3
[M]+ 313.25125 163.4
[M]- 313.25235 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