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[2,3-c]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]+ 378.12708 189.4
[M+Na]+ 400.10902 199.7
[M-H]- 376.11252 199.4
[M+NH4]+ 395.15362 204.0
[M+K]+ 416.08296 193.8
[M+H-H2O]+ 360.11706 181.3
[M+HCOO]- 422.11800 208.9
[M+CH3COO]- 436.13365 200.8
[M+Na-2H]- 398.09447 188.9
[M]+ 377.11925 196.3
[M]- 377.12035 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.