CID 6436270

Kidamycin

Structural Information

Molecular Formula
C39H48N2O9
SMILES
C/C=C(/C)\C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4C5CC(C(C(O5)C)O)N(C)C)C6CC(C(C(O6)C)O)(C)N(C)C)O
InChI
InChI=1S/C39H48N2O9/c1-11-17(2)26-15-25(42)29-18(3)12-23-31(37(29)50-26)36(46)32-30(35(23)45)21(27-14-24(40(7)8)33(43)19(4)48-27)13-22(34(32)44)28-16-39(6,41(9)10)38(47)20(5)49-28/h11-13,15,19-20,24,27-28,33,38,43-44,47H,14,16H2,1-10H3/b17-11-
InChIKey
MFTJRTUKCOVIMD-BOPFTXTBSA-N
Compound name
2-[(Z)-but-2-en-2-yl]-10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methylnaphtho[2,3-h]chromene-4,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

688.336 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.34328 257.1
[M+Na]+ 711.32522 257.4
[M+NH4]+ 706.36982 257.4
[M+K]+ 727.29916 262.0
[M-H]- 687.32872 251.7
[M+Na-2H]- 709.31067 276.8
[M]+ 688.33545 255.8
[M]- 688.33655 255.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.