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]+ 370.09212 182.6
[M+Na]+ 392.07406 191.0
[M-H]- 368.07756 191.9
[M+NH4]+ 387.11866 193.6
[M+K]+ 408.04800 185.9
[M+H-H2O]+ 352.08210 178.0
[M+HCOO]- 414.08304 204.8
[M+CH3COO]- 428.09869 212.8
[M+Na-2H]- 390.05951 188.3
[M]+ 369.08429 188.5
[M]- 369.08539 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.