CID 484001

Methyl 1,3-diphenylthieno[2,3-c]pyrazole-5-carboxylate

Structural Information

Molecular Formula
C19H14N2O2S
SMILES
COC(=O)C1=CC2=C(S1)N(N=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H14N2O2S/c1-23-19(22)16-12-15-17(13-8-4-2-5-9-13)20-21(18(15)24-16)14-10-6-3-7-11-14/h2-12H,1H3
InChIKey
DZQQNYINNMWKBX-UHFFFAOYSA-N
Compound name
methyl 1,3-diphenylthieno[3,2-d]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0776 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.084876 177.9
[M+Na]+ 357.066818 189.5
[M-H]- 333.070324 188.1
[M+NH4]+ 352.111423 194.5
[M+K]+ 373.040758 184.1
[M+H-H2O]+ 317.074860 170.3
[M+HCOO]- 379.075801 197.3
[M+CH3COO]- 393.091451 190.5
[M+Na-2H]- 355.052266 177.9
[M]+ 334.07705142 184.5
[M]- 334.07814858 184.5
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.