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]+ 399.11868 189.9
[M+Na]+ 421.10062 204.0
[M+NH4]+ 416.14522 193.1
[M+K]+ 437.07456 199.2
[M-H]- 397.10412 188.8
[M+Na-2H]- 419.08607 192.1
[M]+ 398.11085 191.3
[M]- 398.11195 191.3
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.