CID 325729

Nsc294910

Structural Information

Molecular Formula
C8H9N5O2S
SMILES
CCOC(=O)NC1=NC2=C(C(=C1)N)N=NS2
InChI
InChI=1S/C8H9N5O2S/c1-2-15-8(14)11-5-3-4(9)6-7(10-5)16-13-12-6/h3H,2H2,1H3,(H3,9,10,11,14)
InChIKey
MQLGDUVUXJLUHO-UHFFFAOYSA-N
Compound name
ethyl N-(7-aminothiadiazolo[5,4-b]pyridin-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.0477 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05498 147.3
[M+Na]+ 262.03692 158.1
[M-H]- 238.04042 148.8
[M+NH4]+ 257.08152 164.0
[M+K]+ 278.01086 154.7
[M+H-H2O]+ 222.04496 139.8
[M+HCOO]- 284.04590 166.4
[M+CH3COO]- 298.06155 191.9
[M+Na-2H]- 260.02237 152.4
[M]+ 239.04715 151.5
[M]- 239.04825 151.5
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