CID 201439

Nybomycin succinate

Structural Information

Molecular Formula
C20H18N2O7
SMILES
CC1=CC(=O)N(C2=CC3=C(C=C12)C(=CC(=O)N3C=O)COC(=O)CCC(=O)O)C
InChI
InChI=1S/C20H18N2O7/c1-11-5-17(24)21(2)15-8-16-14(7-13(11)15)12(6-18(25)22(16)10-23)9-29-20(28)4-3-19(26)27/h5-8,10H,3-4,9H2,1-2H3,(H,26,27)
InChIKey
XGSMZMKNFPOBKN-UHFFFAOYSA-N
Compound name
4-[(1-formyl-6,9-dimethyl-2,8-dioxopyrido[3,2-g]quinolin-4-yl)methoxy]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1114 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.118676 188.0
[M+Na]+ 421.100618 199.3
[M-H]- 397.104124 190.7
[M+NH4]+ 416.145223 198.0
[M+K]+ 437.074558 195.4
[M+H-H2O]+ 381.108660 178.9
[M+HCOO]- 443.109601 205.2
[M+CH3COO]- 457.125251 223.7
[M+Na-2H]- 419.086066 190.6
[M]+ 398.11085142 197.5
[M]- 398.11194858 197.5
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.