CID 3010639

(3r,4s)-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-4-(naphthalene-1-carbonyl)tetrahydrofuran-2-one

Structural Information

Molecular Formula
C25H24O7
SMILES
COC1=CC(=CC(=C1OC)OC)C([C@H]2[C@@H](COC2=O)C(=O)C3=CC=CC4=CC=CC=C43)O
InChI
InChI=1S/C25H24O7/c1-29-19-11-15(12-20(30-2)24(19)31-3)22(26)21-18(13-32-25(21)28)23(27)17-10-6-8-14-7-4-5-9-16(14)17/h4-12,18,21-22,26H,13H2,1-3H3/t18-,21-,22?/m1/s1
InChIKey
LGOKFFMHRVCNOX-QOCBGMSTSA-N
Compound name
(3R,4S)-3-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-4-(naphthalene-1-carbonyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.1522 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15948 202.0
[M+Na]+ 459.14142 207.9
[M-H]- 435.14492 212.3
[M+NH4]+ 454.18602 211.7
[M+K]+ 475.11536 206.4
[M+H-H2O]+ 419.14946 193.5
[M+HCOO]- 481.15040 218.5
[M+CH3COO]- 495.16605 229.5
[M+Na-2H]- 457.12687 199.5
[M]+ 436.15165 207.4
[M]- 436.15275 207.4
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

No patent data available for this compound.