CID 509071

2-methyl-naphthoxazole-4,9-di(methoxyacetoxy)hydroquinone

Structural Information

Molecular Formula
C18H17NO7
SMILES
CC1=NC2=C(C3=CC=CC=C3C(=C2O1)OC(=O)COC)OC(=O)COC
InChI
InChI=1S/C18H17NO7/c1-10-19-15-16(25-13(20)8-22-2)11-6-4-5-7-12(11)17(18(15)24-10)26-14(21)9-23-3/h4-7H,8-9H2,1-3H3
InChIKey
FMADOWREFSXXLF-UHFFFAOYSA-N
Compound name
[9-(2-methoxyacetyl)oxy-2-methylbenzo[f][1,3]benzoxazol-4-yl] 2-methoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10778 179.3
[M+Na]+ 382.08972 189.0
[M-H]- 358.09322 185.0
[M+NH4]+ 377.13432 193.3
[M+K]+ 398.06366 188.8
[M+H-H2O]+ 342.09776 171.7
[M+HCOO]- 404.09870 199.9
[M+CH3COO]- 418.11435 214.2
[M+Na-2H]- 380.07517 183.3
[M]+ 359.09995 191.8
[M]- 359.10105 191.8
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.