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-dimethyl-2-pyridinyl)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]+ 246.171326 164.3
[M+Na]+ 268.153268 171.6
[M-H]- 244.156774 167.1
[M+NH4]+ 263.197873 178.7
[M+K]+ 284.127208 169.9
[M+H-H2O]+ 228.161310 150.0
[M+HCOO]- 290.162251 184.2
[M+CH3COO]- 304.177901 214.6
[M+Na-2H]- 266.138716 168.6
[M]+ 245.16350142 158.7
[M]- 245.16459858 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.