CID 3307178

2,8-dimethyl-3-(4-nitrophenoxy)-4-oxo-4h-chromen-7-yl acetate

Structural Information

Molecular Formula
C19H15NO7
SMILES
CC1=C(C=CC2=C1OC(=C(C2=O)OC3=CC=C(C=C3)[N+](=O)[O-])C)OC(=O)C
InChI
InChI=1S/C19H15NO7/c1-10-16(26-12(3)21)9-8-15-17(22)19(11(2)25-18(10)15)27-14-6-4-13(5-7-14)20(23)24/h4-9H,1-3H3
InChIKey
ZHFIUXRKENFPTQ-UHFFFAOYSA-N
Compound name
[2,8-dimethyl-3-(4-nitrophenoxy)-4-oxochromen-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.08484 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.092116 182.6
[M+Na]+ 392.074058 191.0
[M-H]- 368.077564 191.9
[M+NH4]+ 387.118663 193.6
[M+K]+ 408.047998 185.9
[M+H-H2O]+ 352.082100 178.0
[M+HCOO]- 414.083041 204.8
[M+CH3COO]- 428.098691 212.8
[M+Na-2H]- 390.059506 188.3
[M]+ 369.08429142 188.5
[M]- 369.08538858 188.5
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.