CID 6447413

2(1h)-quinolinone, 4-(acetyloxy)-1-methyl-3-(2-(1-methyl-5-nitro-1h-imidazol-2-yl)ethenyl)-

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]+ 369.119336 184.7
[M+Na]+ 391.101278 194.8
[M-H]- 367.104784 190.3
[M+NH4]+ 386.145883 195.2
[M+K]+ 407.075218 185.8
[M+H-H2O]+ 351.109320 179.6
[M+HCOO]- 413.110261 206.3
[M+CH3COO]- 427.125911 211.1
[M+Na-2H]- 389.086726 189.1
[M]+ 368.11151142 189.3
[M]- 368.11260858 189.3
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.