CID 6447414

Brn 4590942

Structural Information

Molecular Formula
C19H18N4O5
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)/C=C/C3=NC=C(N3C)[N+](=O)[O-])OC(=O)C
InChI
InChI=1S/C19H18N4O5/c1-4-22-15-8-6-5-7-13(15)18(28-12(2)24)14(19(22)25)9-10-16-20-11-17(21(16)3)23(26)27/h5-11H,4H2,1-3H3/b10-9+
InChIKey
HNKYVUHRFQDMBL-MDZDMXLPSA-N
Compound name
[1-ethyl-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

382.12772 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13500 189.4
[M+Na]+ 405.11694 199.0
[M-H]- 381.12044 194.8
[M+NH4]+ 400.16154 199.3
[M+K]+ 421.09088 189.9
[M+H-H2O]+ 365.12498 184.1
[M+HCOO]- 427.12592 210.7
[M+CH3COO]- 441.14157 214.0
[M+Na-2H]- 403.10239 193.3
[M]+ 382.12717 194.3
[M]- 382.12827 194.3
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.