CID 3059101

Brn 5603142

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1COC2(C3=NC4=CC=CC=C4N3CC1O2)C5=CC=CC=C5
InChI
InChI=1S/C18H16N2O2/c1-2-6-13(7-3-1)18-17-19-15-8-4-5-9-16(15)20(17)12-14(22-18)10-11-21-18/h1-9,14H,10-12H2
InChIKey
REPAREIAANCXPZ-UHFFFAOYSA-N
Compound name
1-phenyl-15,16-dioxa-3,10-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 163.1
[M+Na]+ 315.11042 172.3
[M-H]- 291.11392 169.4
[M+NH4]+ 310.15502 179.9
[M+K]+ 331.08436 168.9
[M+H-H2O]+ 275.11846 152.9
[M+HCOO]- 337.11940 177.3
[M+CH3COO]- 351.13505 174.4
[M+Na-2H]- 313.09587 172.2
[M]+ 292.12065 163.9
[M]- 292.12175 163.9
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.