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]+ 192.02262 136.5
[M+Na]+ 214.00456 147.9
[M-H]- 190.00806 140.4
[M+NH4]+ 209.04916 154.6
[M+K]+ 229.97850 144.3
[M+H-H2O]+ 174.01260 128.8
[M+HCOO]- 236.01354 155.3
[M+CH3COO]- 250.02919 150.3
[M+Na-2H]- 211.99001 140.8
[M]+ 191.01479 139.3
[M]- 191.01589 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