CID 6447413

Brn 4589919

Structural Information

Molecular Formula
C18H16N4O5
SMILES
CC(=O)OC1=C(C(=O)N(C2=CC=CC=C21)C)/C=C/C3=NC=C(N3C)[N+](=O)[O-]
InChI
InChI=1S/C18H16N4O5/c1-11(23)27-17-12-6-4-5-7-14(12)20(2)18(24)13(17)8-9-15-19-10-16(21(15)3)22(25)26/h4-10H,1-3H3/b9-8+
InChIKey
AEUFUTVPZXRTOF-CMDGGOBGSA-N
Compound name
[1-methyl-3-[(E)-2-(1-methyl-5-nitroimidazol-2-yl)ethenyl]-2-oxoquinolin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.11206 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.11934 182.9
[M+Na]+ 391.10128 197.8
[M+NH4]+ 386.14588 187.3
[M+K]+ 407.07522 196.6
[M-H]- 367.10478 185.2
[M+Na-2H]- 389.08673 187.9
[M]+ 368.11151 185.3
[M]- 368.11261 185.3
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.