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-dimethoxy-3-pyridinyl)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]+ 278.161146 168.1
[M+Na]+ 300.143088 175.0
[M-H]- 276.146594 170.7
[M+NH4]+ 295.187693 181.0
[M+K]+ 316.117028 174.5
[M+H-H2O]+ 260.151130 153.3
[M+HCOO]- 322.152071 188.3
[M+CH3COO]- 336.167721 218.4
[M+Na-2H]- 298.128536 172.6
[M]+ 277.15332142 164.9
[M]- 277.15441858 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.