CID 201438

5978-63-2

Structural Information

Molecular Formula
C18H16N2O5
SMILES
CC1=CC(=O)N(C2=CC3=C(C=C12)C(=CC(=O)N3C=O)COC(=O)C)C
InChI
InChI=1S/C18H16N2O5/c1-10-4-17(23)19(3)15-7-16-14(6-13(10)15)12(8-25-11(2)22)5-18(24)20(16)9-21/h4-7,9H,8H2,1-3H3
InChIKey
ZIIOVWNQBWGLMP-UHFFFAOYSA-N
Compound name
(1-formyl-6,9-dimethyl-2,8-dioxopyrido[3,2-g]quinolin-4-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11321 175.3
[M+Na]+ 363.09515 188.8
[M-H]- 339.09865 179.9
[M+NH4]+ 358.13975 189.1
[M+K]+ 379.06909 184.4
[M+H-H2O]+ 323.10319 166.5
[M+HCOO]- 385.10413 195.4
[M+CH3COO]- 399.11978 215.2
[M+Na-2H]- 361.08060 180.1
[M]+ 340.10538 184.5
[M]- 340.10648 184.5
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.