CID 3050763

Brn 0408440

Structural Information

Molecular Formula
C13H19N5
SMILES
CC1=CC(=NC(=C1)NC(=NC(C)(C)C)NC#N)C
InChI
InChI=1S/C13H19N5/c1-9-6-10(2)16-11(7-9)17-12(15-8-14)18-13(3,4)5/h6-7H,1-5H3,(H2,15,16,17,18)
InChIKey
PZIPQCFCXVERPT-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-(4,6-dimethylpyridin-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

245.16405 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.17133 163.6
[M+Na]+ 268.15327 172.6
[M+NH4]+ 263.19787 166.6
[M+K]+ 284.12721 164.1
[M-H]- 244.15677 158.5
[M+Na-2H]- 266.13872 166.2
[M]+ 245.16350 162.4
[M]- 245.16460 162.4
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.