CID 747859

N,3-dimethyl-n,1-diphenyl-1h-thieno[2,3-c]pyrazole-5-carboxamide

Structural Information

Molecular Formula
C20H17N3OS
SMILES
CC1=NN(C2=C1C=C(S2)C(=O)N(C)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3OS/c1-14-17-13-18(19(24)22(2)15-9-5-3-6-10-15)25-20(17)23(21-14)16-11-7-4-8-12-16/h3-13H,1-2H3
InChIKey
XOZACOLLZVWJHN-UHFFFAOYSA-N
Compound name
N,3-dimethyl-N,1-diphenylthieno[3,2-d]pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

347.10922 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.116496 182.4
[M+Na]+ 370.098438 192.8
[M-H]- 346.101944 193.8
[M+NH4]+ 365.143043 198.8
[M+K]+ 386.072378 187.8
[M+H-H2O]+ 330.106480 174.2
[M+HCOO]- 392.107421 202.6
[M+CH3COO]- 406.123071 194.7
[M+Na-2H]- 368.083886 182.1
[M]+ 347.10867142 188.6
[M]- 347.10976858 188.6
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

patents stripe