CID 44257407

12a-methoxydolineone

Structural Information

Molecular Formula
C20H14O7
SMILES
COC12C(COC3=CC4=C(C=C31)OCO4)OC5=C(C2=O)C=C6C=COC6=C5
InChI
InChI=1S/C20H14O7/c1-22-20-12-5-16-17(26-9-25-16)7-15(12)24-8-18(20)27-14-6-13-10(2-3-23-13)4-11(14)19(20)21/h2-7,18H,8-9H2,1H3
InChIKey
NUYYOLGSNQWSLU-UHFFFAOYSA-N
Compound name
1-methoxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.07394 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.08122 173.2
[M+Na]+ 389.06316 184.8
[M-H]- 365.06666 185.2
[M+NH4]+ 384.10776 189.1
[M+K]+ 405.03710 186.5
[M+H-H2O]+ 349.07120 168.6
[M+HCOO]- 411.07214 185.9
[M+CH3COO]- 425.08779 186.0
[M+Na-2H]- 387.04861 180.6
[M]+ 366.07339 182.2
[M]- 366.07449 182.2
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.