CID 494780

Nsc631320

Structural Information

Molecular Formula
C25H18N2O5
SMILES
COC1=CC=C(C=C1)C23C4C(C(=O)N(C4=O)C5=CC=CC=C5)ON2C6=CC=CC=C6C3=O
InChI
InChI=1S/C25H18N2O5/c1-31-17-13-11-15(12-14-17)25-20-21(24(30)26(23(20)29)16-7-3-2-4-8-16)32-27(25)19-10-6-5-9-18(19)22(25)28/h2-14,20-21H,1H3
InChIKey
XTUDEHARSIPFDI-UHFFFAOYSA-N
Compound name
9-(4-methoxyphenyl)-12-phenyl-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

426.12158 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.12886 198.3
[M+Na]+ 449.11080 208.9
[M-H]- 425.11430 210.6
[M+NH4]+ 444.15540 214.1
[M+K]+ 465.08474 204.1
[M+H-H2O]+ 409.11884 190.7
[M+HCOO]- 471.11978 215.0
[M+CH3COO]- 485.13543 209.1
[M+Na-2H]- 447.09625 195.8
[M]+ 426.12103 202.6
[M]- 426.12213 202.6
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.