CID 678008

Ethyl 3-methyl-1-phenyl-1h-thieno[2,3-c]pyrazole-5-carboxylate

Structural Information

Molecular Formula
C15H14N2O2S
SMILES
CCOC(=O)C1=CC2=C(S1)N(N=C2C)C3=CC=CC=C3
InChI
InChI=1S/C15H14N2O2S/c1-3-19-15(18)13-9-12-10(2)16-17(14(12)20-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKey
ALIGMCLBODTFRV-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

10
Patents

286.0776 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08488 164.6
[M+Na]+ 309.06682 178.1
[M+NH4]+ 304.11142 173.0
[M+K]+ 325.04076 172.8
[M-H]- 285.07032 167.5
[M+Na-2H]- 307.05227 170.8
[M]+ 286.07705 167.8
[M]- 286.07815 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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