CID 431398

Nsc292685

Structural Information

Molecular Formula
C37H51NO11
SMILES
CCCCCCCCCCNC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O
InChI
InChI=1S/C37H51NO11/c1-4-5-6-7-8-9-10-11-15-38-23-16-27(48-20(2)32(23)41)49-25-18-37(46,26(40)19-39)17-22-29(25)36(45)31-30(34(22)43)33(42)21-13-12-14-24(47-3)28(21)35(31)44/h12-14,20,23,25-27,32,38-41,43,45-46H,4-11,15-19H2,1-3H3
InChIKey
DOGXVRNDXNVZFB-UHFFFAOYSA-N
Compound name
7-[4-(decylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-(1,2-dihydroxyethyl)-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

685.3462 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 686.35348 252.8
[M+Na]+ 708.33542 257.5
[M-H]- 684.33892 248.4
[M+NH4]+ 703.38002 254.1
[M+K]+ 724.30936 249.9
[M+H-H2O]+ 668.34346 240.6
[M+HCOO]- 730.34440 255.8
[M+CH3COO]- 744.36005 279.6
[M+Na-2H]- 706.32087 276.6
[M]+ 685.34565 265.1
[M]- 685.34675 265.1
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.