CID 374515

Nsc652266

Structural Information

Molecular Formula
C24H16N2O4
SMILES
C1=CC=C(C=C1)C23C4C(C(=O)N(C4=O)C5=CC=CC=C5)ON2C6=CC=CC=C6C3=O
InChI
InChI=1S/C24H16N2O4/c27-21-17-13-7-8-14-18(17)26-24(21,15-9-3-1-4-10-15)19-20(30-26)23(29)25(22(19)28)16-11-5-2-6-12-16/h1-14,19-20H
InChIKey
MFGKNCXXMLCDSY-UHFFFAOYSA-N
Compound name
9,12-diphenyl-15-oxa-1,12-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,11,13-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.111 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11828 191.3
[M+Na]+ 419.10022 202.0
[M-H]- 395.10372 203.5
[M+NH4]+ 414.14482 208.3
[M+K]+ 435.07416 196.5
[M+H-H2O]+ 379.10826 183.6
[M+HCOO]- 441.10920 208.4
[M+CH3COO]- 455.12485 202.5
[M+Na-2H]- 417.08567 189.5
[M]+ 396.11045 193.6
[M]- 396.11155 193.6
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.