CID 652252

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

Structural Information

Molecular Formula
C14H12N2O2S
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)OC)C3=CC=CC=C3
InChI
InChI=1S/C14H12N2O2S/c1-9-11-8-12(14(17)18-2)19-13(11)16(15-9)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
YVCXWEOHTQHCQS-UHFFFAOYSA-N
Compound name
methyl 3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

272.06195 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06923 160.2
[M+Na]+ 295.05117 173.9
[M+NH4]+ 290.09577 168.7
[M+K]+ 311.02511 168.8
[M-H]- 271.05467 163.2
[M+Na-2H]- 293.03662 166.6
[M]+ 272.06140 163.5
[M]- 272.06250 163.5
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

No patent data available for this compound.