CID 48869

67026-48-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

245.16405 Da
Monoisotopic Mass

2.8
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

patents stripe