CID 131379

Cercosporamide

Structural Information

Molecular Formula
C16H13NO7
SMILES
CC(=O)C1=C(C=C2[C@@](C1=O)(C3=C(C=C(C(=C3O2)C(=O)N)O)O)C)O
InChI
InChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/m1/s1
InChIKey
GEWLYFZWVLXQME-MRXNPFEDSA-N
Compound name
(9aS)-8-acetyl-1,3,7-trihydroxy-9a-methyl-9-oxodibenzofuran-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

28
References

429
Patents

331.0692 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.076476 169.8
[M+Na]+ 354.058418 180.1
[M-H]- 330.061924 173.1
[M+NH4]+ 349.103023 186.2
[M+K]+ 370.032358 178.1
[M+H-H2O]+ 314.066460 165.9
[M+HCOO]- 376.067401 185.2
[M+CH3COO]- 390.083051 209.6
[M+Na-2H]- 352.043866 171.4
[M]+ 331.06865142 172.8
[M]- 331.06974858 172.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe