CID 3050757

67026-44-2

Structural Information

Molecular Formula
C13H19N5O2
SMILES
CC(C)(C)N=C(NC#N)NC1=C(N=C(C=C1)OC)OC
InChI
InChI=1S/C13H19N5O2/c1-13(2,3)18-12(15-8-14)16-9-6-7-10(19-4)17-11(9)20-5/h6-7H,1-5H3,(H2,15,16,18)
InChIKey
XJRMYJNKTRVYKX-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-(2,6-dimethoxypyridin-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

277.15387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.16115 168.1
[M+Na]+ 300.14309 175.0
[M-H]- 276.14659 170.7
[M+NH4]+ 295.18769 181.0
[M+K]+ 316.11703 174.5
[M+H-H2O]+ 260.15113 153.3
[M+HCOO]- 322.15207 188.3
[M+CH3COO]- 336.16772 218.4
[M+Na-2H]- 298.12854 172.6
[M]+ 277.15332 164.9
[M]- 277.15442 164.9
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.