CID 680356

N-benzyl-3-methyl-1-phenyl-1h-thieno[2,3-c]pyrazole-5-carboxamide

Structural Information

Molecular Formula
C20H17N3OS
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3OS/c1-14-17-12-18(19(24)21-13-15-8-4-2-5-9-15)25-20(17)23(22-14)16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H,21,24)
InChIKey
UMMFGUQCEXUQLH-UHFFFAOYSA-N
Compound name
N-benzyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

347.10922 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.116496 181.3
[M+Na]+ 370.098438 191.7
[M-H]- 346.101944 191.2
[M+NH4]+ 365.143043 197.1
[M+K]+ 386.072378 185.3
[M+H-H2O]+ 330.106480 173.3
[M+HCOO]- 392.107421 201.1
[M+CH3COO]- 406.123071 193.1
[M+Na-2H]- 368.083886 181.8
[M]+ 347.10867142 186.2
[M]- 347.10976858 186.2
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

patents stripe