CID 43357

60560-43-2

Structural Information

Molecular Formula
C15H23N5
SMILES
CCC(C)(C)N=C(NC#N)NC1=C(N=C(C=C1C)C)C
InChI
InChI=1S/C15H23N5/c1-7-15(5,6)20-14(17-9-16)19-13-10(2)8-11(3)18-12(13)4/h8H,7H2,1-6H3,(H2,17,19,20)
InChIKey
NZUWSPDEXXXPFP-UHFFFAOYSA-N
Compound name
1-cyano-2-(2-methylbutan-2-yl)-3-(2,4,6-trimethylpyridin-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.19534 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20262 170.6
[M+Na]+ 296.18456 179.6
[M+NH4]+ 291.22916 173.4
[M+K]+ 312.15850 170.9
[M-H]- 272.18806 165.5
[M+Na-2H]- 294.17001 172.6
[M]+ 273.19479 169.4
[M]- 273.19589 169.4
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.