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 238.9
[M+Na]+ 683.82955 248.7
[M-H]- 659.83305 241.9
[M+NH4]+ 678.87415 245.5
[M+K]+ 699.80349 244.5
[M+H-H2O]+ 643.83759 236.1
[M+HCOO]- 705.83853 237.4
[M+CH3COO]- 719.85418 244.3
[M+Na-2H]- 681.81500 233.2
[M]+ 660.83978 242.8
[M]- 660.84088 242.8
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.