CID 52908196

Methyl 2-amino-5-methyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate

Structural Information

Molecular Formula
C9H9N3O2S
SMILES
CC1=CC(=C2C(=N1)N=C(S2)N)C(=O)OC
InChI
InChI=1S/C9H9N3O2S/c1-4-3-5(8(13)14-2)6-7(11-4)12-9(10)15-6/h3H,1-2H3,(H2,10,11,12)
InChIKey
WOQVEUMLOZQOMR-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-methyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04155 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04883 145.0
[M+Na]+ 246.03077 157.1
[M-H]- 222.03427 148.2
[M+NH4]+ 241.07537 164.4
[M+K]+ 262.00471 153.8
[M+H-H2O]+ 206.03881 138.8
[M+HCOO]- 268.03975 164.0
[M+CH3COO]- 282.05540 188.7
[M+Na-2H]- 244.01622 148.1
[M]+ 223.04100 150.4
[M]- 223.04210 150.4
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

No patent data available for this compound.