CID 129905855

1,8-dihydroxy-3-methoxy-5,6-dimethyl-2-[(e)-3-methylbut-1-enyl]anthracene-9,10-dione

Structural Information

Molecular Formula
C22H22O5
SMILES
CC1=CC(=C2C(=C1C)C(=O)C3=CC(=C(C(=C3C2=O)O)/C=C/C(C)C)OC)O
InChI
InChI=1S/C22H22O5/c1-10(2)6-7-13-16(27-5)9-14-18(20(13)24)22(26)19-15(23)8-11(3)12(4)17(19)21(14)25/h6-10,23-24H,1-5H3/b7-6+
InChIKey
FTIHRQKCCJNGCH-VOTSOKGWSA-N
Compound name
1,8-dihydroxy-3-methoxy-5,6-dimethyl-2-[(E)-3-methylbut-1-enyl]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.14673 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15401 184.3
[M+Na]+ 389.13595 194.7
[M-H]- 365.13945 188.1
[M+NH4]+ 384.18055 198.8
[M+K]+ 405.10989 189.8
[M+H-H2O]+ 349.14399 177.9
[M+HCOO]- 411.14493 199.6
[M+CH3COO]- 425.16058 221.2
[M+Na-2H]- 387.12140 183.1
[M]+ 366.14618 189.1
[M]- 366.14728 189.1
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.