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[2,3-c]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]+ 335.08488 177.9
[M+Na]+ 357.06682 189.5
[M-H]- 333.07032 188.1
[M+NH4]+ 352.11142 194.5
[M+K]+ 373.04076 184.1
[M+H-H2O]+ 317.07486 170.3
[M+HCOO]- 379.07580 197.3
[M+CH3COO]- 393.09145 190.5
[M+Na-2H]- 355.05227 177.9
[M]+ 334.07705 184.5
[M]- 334.07815 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.