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 167.2
[M+Na]+ 323.05730 177.1
[M-H]- 299.06080 177.7
[M+NH4]+ 318.10190 184.0
[M+K]+ 339.03124 174.3
[M+H-H2O]+ 283.06534 160.2
[M+HCOO]- 345.06628 190.5
[M+CH3COO]- 359.08193 180.3
[M+Na-2H]- 321.04275 167.2
[M]+ 300.06753 172.2
[M]- 300.06863 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.