CID 3059100

Brn 5616075

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1CC2COC(O2)(C3=NC4=CC=CC=C4N3C1)C5=CC=CC=C5
InChI
InChI=1S/C19H18N2O2/c1-2-7-14(8-3-1)19-18-20-16-10-4-5-11-17(16)21(18)12-6-9-15(23-19)13-22-19/h1-5,7-8,10-11,15H,6,9,12-13H2
InChIKey
YTJWTGPZPHNPGT-UHFFFAOYSA-N
Compound name
1-phenyl-16,17-dioxa-3,10-diazatetracyclo[12.2.1.02,10.04,9]heptadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.144116 180.8
[M+Na]+ 329.126058 186.3
[M-H]- 305.129564 183.8
[M+NH4]+ 324.170663 188.6
[M+K]+ 345.099998 185.3
[M+H-H2O]+ 289.134100 175.4
[M+HCOO]- 351.135041 187.1
[M+CH3COO]- 365.150691 184.2
[M+Na-2H]- 327.111506 179.3
[M]+ 306.13629142 181.0
[M]- 306.13738858 181.0
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.