CID 138911163

11a-hydroxy-oxytetracycline

Structural Information

Molecular Formula
C22H24N2O10
SMILES
C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)[C@]2(C(=O)C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
InChI
InChI=1S/C22H24N2O10/c1-20(32)7-5-4-6-8(25)9(7)16(28)22(34)15(20)14(27)11-12(24(2)3)13(26)10(18(23)30)17(29)21(11,33)19(22)31/h4-6,11-12,14-15,25,27,29,32-34H,1-3H3,(H2,23,30)/t11-,12+,14-,15-,20-,21-,22+/m1/s1
InChIKey
BWPAUHFEZFTASB-LUVPITIUSA-N
Compound name
(4S,4aR,5R,5aR,6S,11aS,12aR)-4-(dimethylamino)-1,5,6,10,11a,12a-hexahydroxy-6-methyl-3,11,12-trioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.1431 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.15038 197.8
[M+Na]+ 499.13232 203.3
[M+NH4]+ 494.17692 203.4
[M+K]+ 515.10626 198.4
[M-H]- 475.13582 195.2
[M+Na-2H]- 497.11777 197.4
[M]+ 476.14255 197.4
[M]- 476.14365 197.4
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.