CID 164352

Dtxsid90928340

Structural Information

Molecular Formula
C48H68N2O15
SMILES
CCC1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CCC(C(O6)C)OC7CCC(C(O7)C)O)N(C)C)OC8CC(C(C(O8)C)O)N(C)C
InChI
InChI=1S/C48H68N2O15/c1-10-48(65-37-18-28(49(6)7)42(53)24(4)60-37)20-27-39(46(57)40-41(44(27)55)45(56)38-26(43(40)54)12-11-13-31(38)52)33(21-48)63-36-19-29(50(8)9)47(25(5)61-36)64-35-17-15-32(23(3)59-35)62-34-16-14-30(51)22(2)58-34/h11-13,22-25,28-30,32-37,42,47,51-53,55,57H,10,14-21H2,1-9H3
InChIKey
LDUVDGXPXDRENL-UHFFFAOYSA-N
Compound name
9-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-7-[4-(dimethylamino)-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-1,6,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

912.462 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 913.46928 306.9
[M+Na]+ 935.45122 308.7
[M-H]- 911.45472 303.8
[M+NH4]+ 930.49582 308.3
[M+K]+ 951.42516 303.7
[M+H-H2O]+ 895.45926 300.8
[M+HCOO]- 957.46020 308.8
[M+CH3COO]- 971.47585 311.1
[M+Na-2H]- 933.43667 337.4
[M]+ 912.46145 324.7
[M]- 912.46255 324.7
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.