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]+ 363.10744 176.2
[M+Na]+ 385.08938 185.2
[M-H]- 361.09288 182.2
[M+NH4]+ 380.13398 188.9
[M+K]+ 401.06332 186.1
[M+H-H2O]+ 345.09742 169.0
[M+HCOO]- 407.09836 196.0
[M+CH3COO]- 421.11401 216.9
[M+Na-2H]- 383.07483 177.7
[M]+ 362.09961 187.4
[M]- 362.10071 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.