CID 365538

Nsc633235

Structural Information

Molecular Formula
C18H20O6
SMILES
CCCOC(=O)C1=CC2=C(C=CC(=C2C(=C1)OC(=O)C)OC)OC
InChI
InChI=1S/C18H20O6/c1-5-8-23-18(20)12-9-13-14(21-3)6-7-15(22-4)17(13)16(10-12)24-11(2)19/h6-7,9-10H,5,8H2,1-4H3
InChIKey
PMKRPTBJMAFHNC-UHFFFAOYSA-N
Compound name
propyl 4-acetyloxy-5,8-dimethoxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13326 174.3
[M+Na]+ 355.11520 182.3
[M-H]- 331.11870 179.1
[M+NH4]+ 350.15980 189.6
[M+K]+ 371.08914 181.3
[M+H-H2O]+ 315.12324 166.9
[M+HCOO]- 377.12418 195.2
[M+CH3COO]- 391.13983 211.8
[M+Na-2H]- 353.10065 176.2
[M]+ 332.12543 183.6
[M]- 332.12653 183.6
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.