CID 494901

Nsc635813

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=CC2=C(CC3C(O2)(C4=CC5=C(C=C4O3)OCO5)O)C=C1
InChI
InChI=1S/C17H14O6/c1-19-10-3-2-9-4-16-17(18,23-12(9)5-10)11-6-14-15(21-8-20-14)7-13(11)22-16/h2-3,5-7,16,18H,4,8H2,1H3
InChIKey
VKKCPUQNHLCNOK-UHFFFAOYSA-N
Compound name
17-methoxy-5,7,11,20-tetraoxapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,14(19),15,17-hexaen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.07904 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.08632 162.9
[M+Na]+ 337.06826 173.3
[M-H]- 313.07176 172.1
[M+NH4]+ 332.11286 181.1
[M+K]+ 353.04220 174.0
[M+H-H2O]+ 297.07630 159.3
[M+HCOO]- 359.07724 176.6
[M+CH3COO]- 373.09289 175.9
[M+Na-2H]- 335.05371 170.4
[M]+ 314.07849 169.2
[M]- 314.07959 169.2
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.