CID 44723969

303104-17-8

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
CC1=CC=C(O1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC=CS3
InChI
InChI=1S/C15H14N4O2S/c1-9-5-6-13(21-9)11-8-12(18-17-11)15(20)19-16-10(2)14-4-3-7-22-14/h3-8H,1-2H3,(H,17,18)(H,19,20)/b16-10+
InChIKey
JOIYCAKNPPNAFI-MHWRWJLKSA-N
Compound name
5-(5-methylfuran-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.