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-methoxy-3-pyridinyl)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]+ 248.150586 162.1
[M+Na]+ 270.132528 168.9
[M-H]- 246.136034 164.7
[M+NH4]+ 265.177133 176.0
[M+K]+ 286.106468 167.8
[M+H-H2O]+ 230.140570 147.4
[M+HCOO]- 292.141511 182.5
[M+CH3COO]- 306.157161 212.7
[M+Na-2H]- 268.117976 167.6
[M]+ 247.14276142 157.1
[M]- 247.14385858 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.