CID 139392355

2,6-dbeaq

Structural Information

Molecular Formula
C22H20O8
SMILES
C1=CC2=C(C=C1OCCCC(=O)O)C(=O)C3=C(C2=O)C=C(C=C3)OCCCC(=O)O
InChI
InChI=1S/C22H20O8/c23-19(24)3-1-9-29-13-5-7-15-17(11-13)21(27)16-8-6-14(12-18(16)22(15)28)30-10-2-4-20(25)26/h5-8,11-12H,1-4,9-10H2,(H,23,24)(H,25,26)
InChIKey
QVZZWCUGOLVNSJ-UHFFFAOYSA-N
Compound name
4-[6-(3-carboxypropoxy)-9,10-dioxoanthracen-2-yl]oxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

412.1158 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.12308 192.9
[M+Na]+ 435.10502 203.4
[M+NH4]+ 430.14962 196.7
[M+K]+ 451.07896 198.7
[M-H]- 411.10852 191.9
[M+Na-2H]- 433.09047 193.6
[M]+ 412.11525 193.7
[M]- 412.11635 193.7
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

patents stripe