CID 206507

50332-15-5

Structural Information

Molecular Formula
C19H15NO3
SMILES
C1CC2=C(C1)N(C3=CC4=C(C=C23)OCO4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C19H15NO3/c21-19(12-5-2-1-3-6-12)20-15-8-4-7-13(15)14-9-17-18(10-16(14)20)23-11-22-17/h1-3,5-6,9-10H,4,7-8,11H2
InChIKey
PZNXHIBBQZXOPG-UHFFFAOYSA-N
Compound name
4,6-dioxa-15-azatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,10(14)-tetraen-15-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1052 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.11248 167.2
[M+Na]+ 328.09442 177.1
[M-H]- 304.09792 177.9
[M+NH4]+ 323.13902 186.4
[M+K]+ 344.06836 174.7
[M+H-H2O]+ 288.10246 162.5
[M+HCOO]- 350.10340 186.8
[M+CH3COO]- 364.11905 180.3
[M+Na-2H]- 326.07987 168.8
[M]+ 305.10465 171.3
[M]- 305.10575 171.3
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.