CID 6444922

Brn 1551520

Structural Information

Molecular Formula
C17H12N2O4S
SMILES
C/C(=C\C1=CC=CS1)/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N2O4S/c1-11(10-13-5-3-9-24-13)17(20)23-16-14(19(21)22)7-6-12-4-2-8-18-15(12)16/h2-10H,1H3/b11-10+
InChIKey
VMRNHMWVOMTNEC-ZHACJKMWSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-2-methyl-3-thiophen-2-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0518 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.05908 171.9
[M+Na]+ 363.04102 185.7
[M+NH4]+ 358.08562 179.3
[M+K]+ 379.01496 181.6
[M-H]- 339.04452 176.3
[M+Na-2H]- 361.02647 179.0
[M]+ 340.05125 175.4
[M]- 340.05235 175.4
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.