CID 6447411

Brn 4574016

Structural Information

Molecular Formula
C18H14N2O5S
SMILES
CC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C)/C=C/C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O5S/c1-11(21)25-17-13-5-3-4-6-15(13)19(2)18(22)14(17)9-7-12-8-10-16(26-12)20(23)24/h3-10H,1-2H3/b9-7+
InChIKey
XVBCTPZAYISZDZ-VQHVLOKHSA-N
Compound name
[1-methyl-3-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]-2-oxoquinolin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06235 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.06963 181.9
[M+Na]+ 393.05157 196.4
[M+NH4]+ 388.09617 188.3
[M+K]+ 409.02551 192.2
[M-H]- 369.05507 185.8
[M+Na-2H]- 391.03702 187.6
[M]+ 370.06180 185.4
[M]- 370.06290 185.4
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.