CID 137942954

1933618-44-0

Structural Information

Molecular Formula
C9H9N3O2S
SMILES
CCOC(=O)C1=CSC(=N1)C2=CNN=C2
InChI
InChI=1S/C9H9N3O2S/c1-2-14-9(13)7-5-15-8(12-7)6-3-10-11-4-6/h3-5H,2H2,1H3,(H,10,11)
InChIKey
XSYKCJJHDBCSMW-UHFFFAOYSA-N
Compound name
ethyl 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04155 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.048826 146.2
[M+Na]+ 246.030768 157.1
[M-H]- 222.034274 149.5
[M+NH4]+ 241.075373 164.3
[M+K]+ 262.004708 154.2
[M+H-H2O]+ 206.038810 139.0
[M+HCOO]- 268.039751 164.7
[M+CH3COO]- 282.055401 159.4
[M+Na-2H]- 244.016216 146.8
[M]+ 223.04100142 150.6
[M]- 223.04209858 150.6
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

No patent data available for this compound.