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

6
Patents

268.11063 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11791 156.6
[M+Na]+ 291.09985 162.1
[M-H]- 267.10335 158.7
[M+NH4]+ 286.14445 172.8
[M+K]+ 307.07379 159.3
[M+H-H2O]+ 251.10789 148.7
[M+HCOO]- 313.10883 173.6
[M+CH3COO]- 327.12448 205.6
[M+Na-2H]- 289.08530 158.0
[M]+ 268.11008 153.5
[M]- 268.11118 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