CID 79872555

[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C7H4N2OS
SMILES
C1=CC2=C(N=C1)SC(=N2)C=O
InChI
InChI=1S/C7H4N2OS/c10-4-6-9-5-2-1-3-8-7(5)11-6/h1-4H
InChIKey
YXEAWTJMGDYYQB-UHFFFAOYSA-N
Compound name
[1,3]thiazolo[5,4-b]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

164.00444 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.01172 127.8
[M+Na]+ 186.99366 140.6
[M-H]- 162.99716 131.1
[M+NH4]+ 182.03826 149.9
[M+K]+ 202.96760 137.4
[M+H-H2O]+ 147.00170 121.9
[M+HCOO]- 209.00264 148.1
[M+CH3COO]- 223.01829 143.0
[M+Na-2H]- 184.97911 134.5
[M]+ 164.00389 132.7
[M]- 164.00499 132.7
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