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 171.8
[M+Na]+ 296.18456 179.0
[M-H]- 272.18806 174.6
[M+NH4]+ 291.22916 185.3
[M+K]+ 312.15850 177.0
[M+H-H2O]+ 256.19260 157.3
[M+HCOO]- 318.19354 191.0
[M+CH3COO]- 332.20919 221.7
[M+Na-2H]- 294.17001 174.5
[M]+ 273.19479 167.2
[M]- 273.19589 167.2
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.