CID 91810538

9-hydroxyminocycline

Structural Information

Molecular Formula
C23H27N3O8
SMILES
CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=C(C=C4N(C)C)O)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O
InChI
InChI=1S/C23H27N3O8/c1-25(2)11-7-12(27)17(28)14-9(11)5-8-6-10-16(26(3)4)19(30)15(22(24)33)21(32)23(10,34)20(31)13(8)18(14)29/h7-8,10,16,27-29,32,34H,5-6H2,1-4H3,(H2,24,33)/t8-,10-,16-,23-/m0/s1
InChIKey
IFNKEKRNWOPIIK-IRDJJEOVSA-N
Compound name
(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,9,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.1798 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.18708 205.2
[M+Na]+ 496.16902 211.7
[M+NH4]+ 491.21362 209.3
[M+K]+ 512.14296 209.0
[M-H]- 472.17252 205.1
[M+Na-2H]- 494.15447 202.9
[M]+ 473.17925 205.5
[M]- 473.18035 205.5
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.