CID 394849

Nsc698808

Structural Information

Molecular Formula
C19H16N2O2
SMILES
CCOC1=C(OC2=C(N=CC=C2)N3C1=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H16N2O2/c1-2-22-18-15-10-7-13-21(15)19-16(11-6-12-20-19)23-17(18)14-8-4-3-5-9-14/h3-13H,2H2,1H3
InChIKey
NBMXIHBTWLSHHK-UHFFFAOYSA-N
Compound name
7-ethoxy-8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,7,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 170.7
[M+Na]+ 327.11042 179.9
[M-H]- 303.11392 179.0
[M+NH4]+ 322.15502 184.8
[M+K]+ 343.08436 179.0
[M+H-H2O]+ 287.11846 162.7
[M+HCOO]- 349.11940 190.0
[M+CH3COO]- 363.13505 182.3
[M+Na-2H]- 325.09587 176.7
[M]+ 304.12065 172.1
[M]- 304.12175 172.1
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.