CID 22390357

Imidazo[4,3-b][1,3]thiazole-7-carbaldehyde

Structural Information

Molecular Formula
C6H4N2OS
SMILES
C1=CSC2=C(N=CN21)C=O
InChI
InChI=1S/C6H4N2OS/c9-3-5-6-8(4-7-5)1-2-10-6/h1-4H
InChIKey
NIHCWUFNKJFVBM-UHFFFAOYSA-N
Compound name
imidazo[5,1-b][1,3]thiazole-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

152.00444 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.011716 126.4
[M+Na]+ 174.993658 139.7
[M-H]- 150.997164 130.2
[M+NH4]+ 170.038263 150.9
[M+K]+ 190.967598 137.6
[M+H-H2O]+ 135.001700 121.2
[M+HCOO]- 197.002641 147.9
[M+CH3COO]- 211.018291 142.3
[M+Na-2H]- 172.979106 130.8
[M]+ 152.00389142 132.0
[M]- 152.00498858 132.0
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