CID 381007

Nsc666992

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1C2=CC=CC=C2NC(=O)C3=CC4=C(N31)C=C(O4)C5=CC=CC=C5
InChI
InChI=1S/C20H14N2O2/c23-20-17-11-19-16(10-18(24-19)13-6-2-1-3-7-13)22(17)12-14-8-4-5-9-15(14)21-20/h1-11H,12H2,(H,21,23)
InChIKey
WYKGAGTUIWIKDI-UHFFFAOYSA-N
Compound name
15-phenyl-14-oxa-1,9-diazatetracyclo[9.6.0.03,8.013,17]heptadeca-3,5,7,11,13(17),15-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.10553 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 173.2
[M+Na]+ 337.09475 184.1
[M-H]- 313.09825 182.3
[M+NH4]+ 332.13935 189.2
[M+K]+ 353.06869 180.6
[M+H-H2O]+ 297.10279 166.9
[M+HCOO]- 359.10373 191.6
[M+CH3COO]- 373.11938 184.9
[M+Na-2H]- 335.08020 177.0
[M]+ 314.10498 172.9
[M]- 314.10608 172.9
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.