CID 6447692

7,13-alpha-secoberbin-13-alpha-one, 9,10-(2-bromomethylenedioxy)-7-methyl-2,3-(methylenedioxy)-

Structural Information

Molecular Formula
C20H15Cl2NO5Sb2
SMILES
CC1OC2=C(O1)C3=C(CC2=[Sb]Cl)/C=C\C4=C(/C=C\NC3)C(=[Sb]Cl)C5=C(C4)OC(=O)O5
InChI
InChI=1S/C20H15NO5.2ClH.2Sb/c1-11-23-16-5-4-12-2-3-13-8-17-18(26-20(22)25-17)9-14(13)6-7-21-10-15(12)19(16)24-11;;;;/h2-3,6-7,11,21H,4,8,10H2,1H3;2*1H;;/q;;;2*+1/p-2/b3-2-,7-6-;;;;
InChIKey
KASYBLQFESBKPY-QJRMUOQFSA-L
Compound name
(2Z,13Z)-11,23-bis(chlorostibanylidene)-20-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),2,4(12),6(10),13,18(22)-hexaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.84033 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.84761 226.0
[M+Na]+ 683.82955 240.1
[M+NH4]+ 678.87415 231.8
[M+K]+ 699.80349 234.6
[M-H]- 659.83305 232.2
[M+Na-2H]- 681.81500 222.3
[M]+ 660.83978 230.1
[M]- 660.84088 230.1
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.