CID 43355

2-cyano-1-cyclooctyl-3-(4-pyridyl)guanidine

Structural Information

Molecular Formula
C15H21N5
SMILES
C1CCCC(CCC1)N=C(NC#N)NC2=CC=NC=C2
InChI
InChI=1S/C15H21N5/c16-12-18-15(20-14-8-10-17-11-9-14)19-13-6-4-2-1-3-5-7-13/h8-11,13H,1-7H2,(H2,17,18,19,20)
InChIKey
CTKDDIUHAMTXOQ-UHFFFAOYSA-N
Compound name
1-cyano-2-cyclooctyl-3-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

271.1797 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18698 154.2
[M+Na]+ 294.16892 157.6
[M-H]- 270.17242 156.0
[M+NH4]+ 289.21352 159.9
[M+K]+ 310.14286 156.7
[M+H-H2O]+ 254.17696 146.4
[M+HCOO]- 316.17790 162.3
[M+CH3COO]- 330.19355 236.0
[M+Na-2H]- 292.15437 154.8
[M]+ 271.17915 149.1
[M]- 271.18025 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