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]+ 246.17133 162.9
[M+Na]+ 268.15327 167.7
[M-H]- 244.15677 164.7
[M+NH4]+ 263.19787 176.3
[M+K]+ 284.12721 166.1
[M+H-H2O]+ 228.16131 147.4
[M+HCOO]- 290.16225 182.3
[M+CH3COO]- 304.17790 214.3
[M+Na-2H]- 266.13872 165.8
[M]+ 245.16350 156.0
[M]- 245.16460 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.