CID 3062336

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

Structural Information

Molecular Formula
C10H16N6OS
SMILES
CCNC(=O)N1CCC2=C(C1)SC(=N2)N=C(N)N
InChI
InChI=1S/C10H16N6OS/c1-2-13-10(17)16-4-3-6-7(5-16)18-9(14-6)15-8(11)12/h2-5H2,1H3,(H,13,17)(H4,11,12,14,15)
InChIKey
ZZTCMGZOZSJPOV-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)-N-ethyl-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

9
Patents

268.11063 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.117906 156.6
[M+Na]+ 291.099848 162.1
[M-H]- 267.103354 158.7
[M+NH4]+ 286.144453 172.8
[M+K]+ 307.073788 159.3
[M+H-H2O]+ 251.107890 148.7
[M+HCOO]- 313.108831 173.6
[M+CH3COO]- 327.124481 205.6
[M+Na-2H]- 289.085296 158.0
[M]+ 268.11008142 153.5
[M]- 268.11117858 153.5
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