CID 374697

Nsc652864

Structural Information

Molecular Formula
C21H14O6
SMILES
COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=CO5)C=CC=C4O)OC
InChI
InChI=1S/C21H14O6/c1-24-14-8-10-6-7-26-19(10)18-17(14)12-9-15(25-2)16-11(4-3-5-13(16)22)20(12)27-21(18)23/h3-9,22H,1-2H3
InChIKey
GZMUMQPGRQFPMK-UHFFFAOYSA-N
Compound name
18-hydroxy-3,20-dimethoxy-8,12-dioxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(21),2,4,6,9,13,15,17,19-nonaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.07904 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.08632 179.8
[M+Na]+ 385.06826 194.2
[M-H]- 361.07176 189.7
[M+NH4]+ 380.11286 195.6
[M+K]+ 401.04220 192.0
[M+H-H2O]+ 345.07630 172.4
[M+HCOO]- 407.07724 200.0
[M+CH3COO]- 421.09289 193.3
[M+Na-2H]- 383.05371 188.2
[M]+ 362.07849 192.0
[M]- 362.07959 192.0
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.