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]+ 301.075356 167.2
[M+Na]+ 323.057298 177.1
[M-H]- 299.060804 177.7
[M+NH4]+ 318.101903 184.0
[M+K]+ 339.031238 174.3
[M+H-H2O]+ 283.065340 160.2
[M+HCOO]- 345.066281 190.5
[M+CH3COO]- 359.081931 180.3
[M+Na-2H]- 321.042746 167.2
[M]+ 300.06753142 172.2
[M]- 300.06862858 172.2
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.