CID 120594

Brn 0895762

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CC1=CC(=O)N(C2=CC3=C(C=C12)C(=CC(=O)N3C=O)CO)C
InChI
InChI=1S/C16H14N2O4/c1-9-3-15(21)17(2)13-6-14-12(5-11(9)13)10(7-19)4-16(22)18(14)8-20/h3-6,8,19H,7H2,1-2H3
InChIKey
MKUOMHJTOYSDDO-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-6,9-dimethyl-2,8-dioxopyrido[3,2-g]quinoline-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.102646 165.7
[M+Na]+ 321.084588 180.0
[M-H]- 297.088094 169.2
[M+NH4]+ 316.129193 180.8
[M+K]+ 337.058528 174.4
[M+H-H2O]+ 281.092630 157.6
[M+HCOO]- 343.093571 185.7
[M+CH3COO]- 357.109221 205.2
[M+Na-2H]- 319.070036 172.0
[M]+ 298.09482142 172.5
[M]- 298.09591858 172.5
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.