CID 3050752

Brn 0409358

Structural Information

Molecular Formula
C14H21N5
SMILES
CC(C)C(C(C)C)N=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C14H21N5/c1-10(2)13(11(3)4)19-14(17-9-15)18-12-6-5-7-16-8-12/h5-8,10-11,13H,1-4H3,(H2,17,18,19)
InChIKey
HGMSOOASNOMSJR-UHFFFAOYSA-N
Compound name
1-cyano-2-(2,4-dimethylpentan-3-yl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.1797 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18698 168.3
[M+Na]+ 282.16892 172.5
[M-H]- 258.17242 170.0
[M+NH4]+ 277.21352 181.2
[M+K]+ 298.14286 171.2
[M+H-H2O]+ 242.17696 152.8
[M+HCOO]- 304.17790 186.6
[M+CH3COO]- 318.19355 217.8
[M+Na-2H]- 280.15437 169.6
[M]+ 259.17915 161.2
[M]- 259.18025 161.2
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.