CID 651459

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

Structural Information

Molecular Formula
C19H21N3OS
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)NC3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C19H21N3OS/c1-13-16-12-17(18(23)20-14-8-4-2-5-9-14)24-19(16)22(21-13)15-10-6-3-7-11-15/h3,6-7,10-12,14H,2,4-5,8-9H2,1H3,(H,20,23)
InChIKey
XYHHLWDUYVJKSX-UHFFFAOYSA-N
Compound name
N-cyclohexyl-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

339.14053 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.147806 179.2
[M+Na]+ 362.129748 186.9
[M-H]- 338.133254 187.9
[M+NH4]+ 357.174353 195.0
[M+K]+ 378.103688 181.3
[M+H-H2O]+ 322.137790 171.2
[M+HCOO]- 384.138731 195.1
[M+CH3COO]- 398.154381 189.8
[M+Na-2H]- 360.115196 177.4
[M]+ 339.13998142 179.6
[M]- 339.14107858 179.6
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.