CID 14771738

Chembl543597

Structural Information

Molecular Formula
C17H29N3
SMILES
C1CCC(CC1)N=C(N)NC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H29N3/c18-16(19-15-4-2-1-3-5-15)20-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H3,18,19,20)
InChIKey
RCEMDNQZNBQTDK-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-cyclohexylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

275.23615 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.24343 157.3
[M+Na]+ 298.22537 154.1
[M-H]- 274.22887 154.2
[M+NH4]+ 293.26997 178.9
[M+K]+ 314.19931 150.7
[M+H-H2O]+ 258.23341 148.9
[M+HCOO]- 320.23435 163.2
[M+CH3COO]- 334.25000 163.1
[M+Na-2H]- 296.21082 165.7
[M]+ 275.23560 149.1
[M]- 275.23670 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe