CID 390806

Nsc688804

Structural Information

Molecular Formula
C18H18O8
SMILES
CCOC(=O)CC1=C(C2=C(C(=C(C=C2)OC(=O)C)OC(=O)C)OC1=O)C
InChI
InChI=1S/C18H18O8/c1-5-23-15(21)8-13-9(2)12-6-7-14(24-10(3)19)17(25-11(4)20)16(12)26-18(13)22/h6-7H,5,8H2,1-4H3
InChIKey
YJFRZJKLQHGSIB-UHFFFAOYSA-N
Compound name
ethyl 2-(7,8-diacetyloxy-4-methyl-2-oxochromen-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.10016 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.107436 176.2
[M+Na]+ 385.089378 185.2
[M-H]- 361.092884 182.2
[M+NH4]+ 380.133983 188.9
[M+K]+ 401.063318 186.1
[M+H-H2O]+ 345.097420 169.0
[M+HCOO]- 407.098361 196.0
[M+CH3COO]- 421.114011 216.9
[M+Na-2H]- 383.074826 177.7
[M]+ 362.09961142 187.4
[M]- 362.10070858 187.4
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.