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 162.1
[M+Na]+ 270.13253 168.9
[M-H]- 246.13603 164.7
[M+NH4]+ 265.17713 176.0
[M+K]+ 286.10647 167.8
[M+H-H2O]+ 230.14057 147.4
[M+HCOO]- 292.14151 182.5
[M+CH3COO]- 306.15716 212.7
[M+Na-2H]- 268.11798 167.6
[M]+ 247.14276 157.1
[M]- 247.14386 157.1
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.