CID 213545

26690-91-5

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CS3
InChI
InChI=1S/C16H15N3O2S/c1-11-14(17-15(20)13-9-6-10-22-13)16(21)19(18(11)2)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,20)
InChIKey
UUURGDJLVCIDOM-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

313.0885 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.095776 171.5
[M+Na]+ 336.077718 183.1
[M-H]- 312.081224 181.3
[M+NH4]+ 331.122323 188.0
[M+K]+ 352.051658 177.9
[M+H-H2O]+ 296.085760 163.9
[M+HCOO]- 358.086701 193.1
[M+CH3COO]- 372.102351 184.6
[M+Na-2H]- 334.063166 170.3
[M]+ 313.08795142 177.2
[M]- 313.08904858 177.2
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

No patent data available for this compound.