CID 43349

1-tert-butyl-2-cyano-3-(6-methoxy-3-pyridyl)guanidine

Structural Information

Molecular Formula
C12H17N5O
SMILES
CC(C)(C)N=C(NC#N)NC1=CN=C(C=C1)OC
InChI
InChI=1S/C12H17N5O/c1-12(2,3)17-11(15-8-13)16-9-5-6-10(18-4)14-7-9/h5-7H,1-4H3,(H2,15,16,17)
InChIKey
YGXRGUVJORFSCM-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-(6-methoxypyridin-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

247.14331 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.15059 162.9
[M+Na]+ 270.13253 171.3
[M+NH4]+ 265.17713 165.5
[M+K]+ 286.10647 163.2
[M-H]- 246.13603 157.2
[M+Na-2H]- 268.11798 165.4
[M]+ 247.14276 161.3
[M]- 247.14386 161.3
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.