CID 3050753

67026-36-2

Structural Information

Molecular Formula
C14H21N5
SMILES
CC(C)(C)C(C)(C)N=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C14H21N5/c1-13(2,3)14(4,5)19-12(17-10-15)18-11-7-6-8-16-9-11/h6-9H,1-5H3,(H2,17,18,19)
InChIKey
URAOWGRHICKCQA-UHFFFAOYSA-N
Compound name
1-cyano-3-pyridin-3-yl-2-(2,3,3-trimethylbutan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.1797 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18698 169.1
[M+Na]+ 282.16892 176.8
[M+NH4]+ 277.21352 171.7
[M+K]+ 298.14286 168.9
[M-H]- 258.17242 163.2
[M+Na-2H]- 280.15437 171.6
[M]+ 259.17915 167.5
[M]- 259.18025 167.5
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.