CID 3077182

133914-69-9

Structural Information

Molecular Formula
C36H48N2O11
SMILES
CCC1(CCC2=C(C1OC3CC(C(C(O3)C)O)N(C)C)C(=C4C(=C2O)C(=O)C5=C(C4=O)C=CC=C5O)O)OC6CC(C(C(O6)C)O)N(C)C
InChI
InChI=1S/C36H48N2O11/c1-8-36(49-24-15-21(38(6)7)30(41)17(3)47-24)13-12-19-26(35(36)48-23-14-20(37(4)5)29(40)16(2)46-23)34(45)28-27(32(19)43)33(44)25-18(31(28)42)10-9-11-22(25)39/h9-11,16-17,20-21,23-24,29-30,35,39-41,43,45H,8,12-15H2,1-7H3
InChIKey
OEWVFEZFYDALPQ-UHFFFAOYSA-N
Compound name
9,10-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,6,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

684.3258 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.33308 256.7
[M+Na]+ 707.31502 257.0
[M+NH4]+ 702.35962 256.9
[M+K]+ 723.28896 261.2
[M-H]- 683.31852 250.9
[M+Na-2H]- 705.30047 275.3
[M]+ 684.32525 255.3
[M]- 684.32635 255.3
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.