CID 3062333

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

Structural Information

Molecular Formula
C11H16N6OS
SMILES
C1CC1NC(=O)N2CCC3=C(C2)SC(=N3)N=C(N)N
InChI
InChI=1S/C11H16N6OS/c12-9(13)16-10-15-7-3-4-17(5-8(7)19-10)11(18)14-6-1-2-6/h6H,1-5H2,(H,14,18)(H4,12,13,15,16)
InChIKey
IDLFGBDIKSBCRO-UHFFFAOYSA-N
Compound name
N-cyclopropyl-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

280.11063 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11791 155.2
[M+Na]+ 303.09985 162.3
[M-H]- 279.10335 160.8
[M+NH4]+ 298.14445 166.2
[M+K]+ 319.07379 157.0
[M+H-H2O]+ 263.10789 148.0
[M+HCOO]- 325.10883 172.6
[M+CH3COO]- 339.12448 209.3
[M+Na-2H]- 301.08530 157.1
[M]+ 280.11008 154.1
[M]- 280.11118 154.1
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