CID 64466

Brn 0432091

Structural Information

Molecular Formula
C17H21N5
SMILES
C1C2CC3CC1CC(C2)(C3)N=C(NC#N)NC4=CN=CC=C4
InChI
InChI=1S/C17H21N5/c18-11-20-16(21-15-2-1-3-19-10-15)22-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,10,12-14H,4-9H2,(H2,20,21,22)
InChIKey
DEVSHLQEUXZEJI-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-1-cyano-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

295.1797 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18698 165.1
[M+Na]+ 318.16892 169.6
[M-H]- 294.17242 162.7
[M+NH4]+ 313.21352 183.3
[M+K]+ 334.14286 159.2
[M+H-H2O]+ 278.17696 151.0
[M+HCOO]- 340.17790 172.8
[M+CH3COO]- 354.19355 171.1
[M+Na-2H]- 316.15437 176.5
[M]+ 295.17915 158.3
[M]- 295.18025 158.3
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

No patent data available for this compound.