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 170.8
[M+Na]+ 282.16892 176.3
[M-H]- 258.17242 173.0
[M+NH4]+ 277.21352 184.1
[M+K]+ 298.14286 174.8
[M+H-H2O]+ 242.17696 156.3
[M+HCOO]- 304.17790 188.8
[M+CH3COO]- 318.19355 215.5
[M+Na-2H]- 280.15437 176.4
[M]+ 259.17915 164.3
[M]- 259.18025 164.3
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.