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]+ 315.091016 172.7
[M+Na]+ 337.072958 181.7
[M-H]- 313.076464 183.2
[M+NH4]+ 332.117563 188.8
[M+K]+ 353.046898 179.3
[M+H-H2O]+ 297.081000 165.7
[M+HCOO]- 359.081941 194.7
[M+CH3COO]- 373.097591 185.2
[M+Na-2H]- 335.058406 171.2
[M]+ 314.08319142 177.5
[M]- 314.08428858 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.