CID 11350483

107188-34-1

Structural Information

Molecular Formula
C22H23NO7
SMILES
CC1=C(C(=C(C2=C1OC(CC2=O)(C)COC3=CC=C(C=C3)[N+](=O)[O-])C)OC(=O)C)C
InChI
InChI=1S/C22H23NO7/c1-12-13(2)21-19(14(3)20(12)29-15(4)24)18(25)10-22(5,30-21)11-28-17-8-6-16(7-9-17)23(26)27/h6-9H,10-11H2,1-5H3
InChIKey
NENODCSJTNNDKF-UHFFFAOYSA-N
Compound name
[2,5,7,8-tetramethyl-2-[(4-nitrophenoxy)methyl]-4-oxo-3H-chromen-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

413.14746 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.154736 195.7
[M+Na]+ 436.136678 202.9
[M-H]- 412.140184 204.3
[M+NH4]+ 431.181283 207.2
[M+K]+ 452.110618 197.9
[M+H-H2O]+ 396.144720 191.9
[M+HCOO]- 458.145661 214.1
[M+CH3COO]- 472.161311 223.1
[M+Na-2H]- 434.122126 199.2
[M]+ 413.14691142 200.8
[M]- 413.14800858 200.8
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

patents stripe