CID 39637

Brn 1031783

Structural Information

Molecular Formula
C21H19NO3
SMILES
C1CCC2=C(C(C1)C(=O)C3=CC=CC=C3)C4=CC5=C(C=C4N2)OCO5
InChI
InChI=1S/C21H19NO3/c23-21(13-6-2-1-3-7-13)14-8-4-5-9-16-20(14)15-10-18-19(25-12-24-18)11-17(15)22-16/h1-3,6-7,10-11,14,22H,4-5,8-9,12H2
InChIKey
JEUAOYYGKANFDL-UHFFFAOYSA-N
Compound name
13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1365 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14378 181.1
[M+Na]+ 356.12572 192.5
[M+NH4]+ 351.17032 189.1
[M+K]+ 372.09966 190.3
[M-H]- 332.12922 186.9
[M+Na-2H]- 354.11117 184.1
[M]+ 333.13595 184.5
[M]- 333.13705 184.5
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.