CID 45791697

2-(pyrimidin-2-yl)-1,3-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C8H5N3OS
SMILES
C1=CN=C(N=C1)C2=NC(=CS2)C=O
InChI
InChI=1S/C8H5N3OS/c12-4-6-5-13-8(11-6)7-9-2-1-3-10-7/h1-5H
InChIKey
IXCQLYQNBGWDSP-UHFFFAOYSA-N
Compound name
2-pyrimidin-2-yl-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

191.01534 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.022616 136.5
[M+Na]+ 214.004558 147.9
[M-H]- 190.008064 140.4
[M+NH4]+ 209.049163 154.6
[M+K]+ 229.978498 144.3
[M+H-H2O]+ 174.012600 128.8
[M+HCOO]- 236.013541 155.3
[M+CH3COO]- 250.029191 150.3
[M+Na-2H]- 211.990006 140.8
[M]+ 191.01479142 139.3
[M]- 191.01588858 139.3
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