CID 90658257

3,8,10,11,12-pentahydroxy-1-methyltetracene-2-carboxylic acid

Structural Information

Molecular Formula
C20H14O7
SMILES
CC1=C(C(=CC2=CC3=CC4=CC(=CC(=C4C(=C3C(=C12)O)O)O)O)O)C(=O)O
InChI
InChI=1S/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h2-6,21-25H,1H3,(H,26,27)
InChIKey
GOGQHAYUQKLYEK-UHFFFAOYSA-N
Compound name
3,8,10,11,12-pentahydroxy-1-methyltetracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

366.07394 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08122 180.7
[M+Na]+ 389.06316 191.7
[M-H]- 365.06666 181.4
[M+NH4]+ 384.10776 192.8
[M+K]+ 405.03710 187.0
[M+H-H2O]+ 349.07120 174.2
[M+HCOO]- 411.07214 192.6
[M+CH3COO]- 425.08779 212.1
[M+Na-2H]- 387.04861 183.9
[M]+ 366.07339 183.8
[M]- 366.07449 183.8
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.