CID 2335644

1-(4-chlorophenyl)-3-methyl-n-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-1h-thieno[2,3-c]pyrazole-5-carboxamide

Structural Information

Molecular Formula
C23H18ClN5OS
SMILES
CC1=NN(C(=C1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI
InChI=1S/C23H18ClN5OS/c1-14-12-21(28(26-14)17-6-4-3-5-7-17)25-22(30)20-13-19-15(2)27-29(23(19)31-20)18-10-8-16(24)9-11-18/h3-13H,1-2H3,(H,25,30)
InChIKey
GDPYUYULDFKPBJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thieno[2,3-c]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.09207 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.09935 206.6
[M+Na]+ 470.08129 220.6
[M-H]- 446.08479 219.1
[M+NH4]+ 465.12589 218.8
[M+K]+ 486.05523 212.7
[M+H-H2O]+ 430.08933 198.1
[M+HCOO]- 492.09027 221.5
[M+CH3COO]- 506.10592 217.7
[M+Na-2H]- 468.06674 202.5
[M]+ 447.09152 216.7
[M]- 447.09262 216.7
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.