CID 3572937

4-oxo-3-phenoxy-2-(trifluoromethyl)-4h-chromen-7-yl 2-phenazinecarboxylate

Structural Information

Molecular Formula
C29H15F3N2O5
SMILES
C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=NC6=CC=CC=C6N=C5C=C4)C(F)(F)F
InChI
InChI=1S/C29H15F3N2O5/c30-29(31,32)27-26(37-17-6-2-1-3-7-17)25(35)19-12-11-18(15-24(19)39-27)38-28(36)16-10-13-22-23(14-16)34-21-9-5-4-8-20(21)33-22/h1-15H
InChIKey
GFTWZGKMXCKNON-UHFFFAOYSA-N
Compound name
[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] phenazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.0933 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.10058 229.2
[M+Na]+ 551.08252 239.7
[M-H]- 527.08602 236.1
[M+NH4]+ 546.12712 232.2
[M+K]+ 567.05646 233.6
[M+H-H2O]+ 511.09056 211.9
[M+HCOO]- 573.09150 240.1
[M+CH3COO]- 587.10715 235.6
[M+Na-2H]- 549.06797 234.7
[M]+ 528.09275 232.0
[M]- 528.09385 232.0
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.