CID 3062337

Thiazolo(5,4-c)pyridine-5(4h)-carboxamide, 6,7-dihydro-2-((aminoiminomethyl)amino)-n-butyl-

Structural Information

Molecular Formula
C12H20N6OS
SMILES
CCCCNC(=O)N1CCC2=C(C1)SC(=N2)N=C(N)N
InChI
InChI=1S/C12H20N6OS/c1-2-3-5-15-12(19)18-6-4-8-9(7-18)20-11(16-8)17-10(13)14/h2-7H2,1H3,(H,15,19)(H4,13,14,16,17)
InChIKey
UJGSWLRDODLNIJ-UHFFFAOYSA-N
Compound name
N-butyl-2-(diaminomethylideneamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

296.14194 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14922 165.6
[M+Na]+ 319.13116 170.3
[M+NH4]+ 314.17576 171.3
[M+K]+ 335.10510 166.6
[M-H]- 295.13466 166.8
[M+Na-2H]- 317.11661 166.9
[M]+ 296.14139 166.2
[M]- 296.14249 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe