CID 6869531

303107-72-4

Structural Information

Molecular Formula
C14H12N4O2S
SMILES
CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C/C3=CC=CO3
InChI
InChI=1S/C14H12N4O2S/c1-9-4-5-13(21-9)11-7-12(17-16-11)14(19)18-15-8-10-3-2-6-20-10/h2-8H,1H3,(H,16,17)(H,18,19)/b15-8+
InChIKey
QZEKYQXMWFLMGX-OVCLIPMQSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

300.06808 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07536 167.3
[M+Na]+ 323.05730 177.5
[M+NH4]+ 318.10190 174.0
[M+K]+ 339.03124 175.9
[M-H]- 299.06080 172.5
[M+Na-2H]- 321.04275 173.9
[M]+ 300.06753 170.4
[M]- 300.06863 170.4
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.