CID 1907611

N-(4-ethoxyphenyl)-3-methyl-1-phenyl-1h-thieno[2,3-c]pyrazole-5-carboxamide

Structural Information

Molecular Formula
C21H19N3O2S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4
InChI
InChI=1S/C21H19N3O2S/c1-3-26-17-11-9-15(10-12-17)22-20(25)19-13-18-14(2)23-24(21(18)27-19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,22,25)
InChIKey
DURZYRKPUIBFOO-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

377.1198 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.127076 189.4
[M+Na]+ 400.109018 199.7
[M-H]- 376.112524 199.4
[M+NH4]+ 395.153623 204.0
[M+K]+ 416.082958 193.8
[M+H-H2O]+ 360.117060 181.3
[M+HCOO]- 422.118001 208.9
[M+CH3COO]- 436.133651 200.8
[M+Na-2H]- 398.094466 188.9
[M]+ 377.11925142 196.3
[M]- 377.12034858 196.3
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.