CID 48868

67026-47-5

Structural Information

Molecular Formula
C13H19N5
SMILES
CCC(C)C(C)N=C(NC#N)NC1=CC=NC=C1
InChI
InChI=1S/C13H19N5/c1-4-10(2)11(3)17-13(16-9-14)18-12-5-7-15-8-6-12/h5-8,10-11H,4H2,1-3H3,(H2,15,16,17,18)
InChIKey
XQFFURSERZYVPP-UHFFFAOYSA-N
Compound name
1-cyano-2-(3-methylpentan-2-yl)-3-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

245.16405 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.171326 162.9
[M+Na]+ 268.153268 167.7
[M-H]- 244.156774 164.7
[M+NH4]+ 263.197873 176.3
[M+K]+ 284.127208 166.1
[M+H-H2O]+ 228.161310 147.4
[M+HCOO]- 290.162251 182.3
[M+CH3COO]- 304.177901 214.3
[M+Na-2H]- 266.138716 165.8
[M]+ 245.16350142 156.0
[M]- 245.16459858 156.0
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.