CID 3042812

Brn 0421314

Structural Information

Molecular Formula
C14H21N5
SMILES
CC1=CC(=NC(=C1NC(=NC(C)(C)C)NC#N)C)C
InChI
InChI=1S/C14H21N5/c1-9-7-10(2)17-11(3)12(9)18-13(16-8-15)19-14(4,5)6/h7H,1-6H3,(H2,16,18,19)
InChIKey
SSTNIYGGKUSZKC-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-(2,4,6-trimethylpyridin-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.1797 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18698 168.3
[M+Na]+ 282.16892 176.0
[M-H]- 258.17242 171.4
[M+NH4]+ 277.21352 182.5
[M+K]+ 298.14286 174.3
[M+H-H2O]+ 242.17696 154.1
[M+HCOO]- 304.17790 187.9
[M+CH3COO]- 318.19355 218.4
[M+Na-2H]- 280.15437 171.5
[M]+ 259.17915 163.4
[M]- 259.18025 163.4
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.