CID 3062334

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

Structural Information

Molecular Formula
C9H14N6OS
SMILES
CNC(=O)N1CCC2=C(C1)SC(=N2)N=C(N)N
InChI
InChI=1S/C9H14N6OS/c1-12-9(16)15-3-2-5-6(4-15)17-8(13-5)14-7(10)11/h2-4H2,1H3,(H,12,16)(H4,10,11,13,14)
InChIKey
FTJBELIYPFVLBM-UHFFFAOYSA-N
Compound name
2-(diaminomethylideneamino)-N-methyl-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

254.09499 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10227 152.4
[M+Na]+ 277.08421 158.4
[M-H]- 253.08771 154.7
[M+NH4]+ 272.12881 169.2
[M+K]+ 293.05815 155.8
[M+H-H2O]+ 237.09225 144.7
[M+HCOO]- 299.09319 169.8
[M+CH3COO]- 313.10884 202.6
[M+Na-2H]- 275.06966 154.2
[M]+ 254.09444 149.0
[M]- 254.09554 149.0
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