CID 21157840

303094-74-8

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC=CO3
InChI
InChI=1S/C15H14N4O2S/c1-9-5-6-14(22-9)11-8-12(18-17-11)15(20)19-16-10(2)13-4-3-7-21-13/h3-8H,1-2H3,(H,17,18)(H,19,20)/b16-10+
InChIKey
YCYMEVMBIOIRHO-MHWRWJLKSA-N
Compound name
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

314.08374 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09102 171.4
[M+Na]+ 337.07296 180.9
[M+NH4]+ 332.11756 177.8
[M+K]+ 353.04690 180.0
[M-H]- 313.07646 176.4
[M+Na-2H]- 335.05841 177.5
[M]+ 314.08319 174.3
[M]- 314.08429 174.3
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.