CID 120120805

2253644-42-5

Structural Information

Molecular Formula
C17H24N4
SMILES
C1C2CC3CC1CC(C2)C3CN=C(N)NC4=CC=CC=N4
InChI
InChI=1S/C17H24N4/c18-17(21-16-3-1-2-4-19-16)20-10-15-13-6-11-5-12(8-13)9-14(15)7-11/h1-4,11-15H,5-10H2,(H3,18,19,20,21)
InChIKey
BVQHPKFTXBEQJD-UHFFFAOYSA-N
Compound name
2-(2-adamantylmethyl)-1-pyridin-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.2001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20738 161.9
[M+Na]+ 307.18932 170.5
[M+NH4]+ 302.23392 172.7
[M+K]+ 323.16326 162.3
[M-H]- 283.19282 163.5
[M+Na-2H]- 305.17477 160.4
[M]+ 284.19955 163.3
[M]- 284.20065 163.3
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

No patent data available for this compound.