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

20
Patents

152.00444 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01172 126.4
[M+Na]+ 174.99366 139.7
[M-H]- 150.99716 130.2
[M+NH4]+ 170.03826 150.9
[M+K]+ 190.96760 137.6
[M+H-H2O]+ 135.00170 121.2
[M+HCOO]- 197.00264 147.9
[M+CH3COO]- 211.01829 142.3
[M+Na-2H]- 172.97911 130.8
[M]+ 152.00389 132.0
[M]- 152.00499 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