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 172.7
[M+Na]+ 337.07296 181.7
[M-H]- 313.07646 183.2
[M+NH4]+ 332.11756 188.8
[M+K]+ 353.04690 179.3
[M+H-H2O]+ 297.08100 165.7
[M+HCOO]- 359.08194 194.7
[M+CH3COO]- 373.09759 185.2
[M+Na-2H]- 335.05841 171.2
[M]+ 314.08319 177.5
[M]- 314.08429 177.5
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.