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 164.3
[M+Na]+ 268.15327 171.6
[M-H]- 244.15677 167.1
[M+NH4]+ 263.19787 178.7
[M+K]+ 284.12721 169.9
[M+H-H2O]+ 228.16131 150.0
[M+HCOO]- 290.16225 184.2
[M+CH3COO]- 304.17790 214.6
[M+Na-2H]- 266.13872 168.6
[M]+ 245.16350 158.7
[M]- 245.16460 158.7
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.