CID 6444201

11081-47-3

Structural Information

Molecular Formula
C41H50N2O10
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)C6COC(C(C6(C)N(C)C)OC(=O)C)C)O
InChI
InChI=1S/C41H50N2O10/c1-12-18(2)29-16-28(45)31-19(3)13-25-33(39(31)53-29)38(49)34-32(37(25)48)24(30-15-27(42(8)9)35(46)20(4)51-30)14-23(36(34)47)26-17-50-21(5)40(52-22(6)44)41(26,7)43(10)11/h12-14,16,20-21,26-27,30,35,40,46-47H,15,17H2,1-11H3/b18-12-
InChIKey
IGGBURDWCSROFD-PDGQHHTCSA-N
Compound name
[5-[2-[(Z)-but-2-en-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-4-(dimethylamino)-2,4-dimethyloxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

730.34656 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.35384 270.8
[M+Na]+ 753.33578 275.4
[M-H]- 729.33928 271.6
[M+NH4]+ 748.38038 274.2
[M+K]+ 769.30972 265.7
[M+H-H2O]+ 713.34382 262.5
[M+HCOO]- 775.34476 275.4
[M+CH3COO]- 789.36041 308.1
[M+Na-2H]- 751.32123 301.3
[M]+ 730.34601 297.9
[M]- 730.34711 297.9
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.