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 262.8
[M+Na]+ 711.32522 267.9
[M-H]- 687.32872 262.6
[M+NH4]+ 706.36982 266.2
[M+K]+ 727.29916 259.3
[M+H-H2O]+ 671.33326 254.8
[M+HCOO]- 733.33420 267.5
[M+CH3COO]- 747.34985 299.0
[M+Na-2H]- 709.31067 293.1
[M]+ 688.33545 288.5
[M]- 688.33655 288.5
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.