CID 255769

22776-66-5

Structural Information

Molecular Formula
C20H15NO2
SMILES
CC1(C2C3=C(C4=CC=CC=C4N=C3C5=CC=CC=C51)C(=O)O2)C
InChI
InChI=1S/C20H15NO2/c1-20(2)13-9-5-3-7-11(13)17-16-15(19(22)23-18(16)20)12-8-4-6-10-14(12)21-17/h3-10,18H,1-2H3
InChIKey
GUNPHVUQXWLBBL-UHFFFAOYSA-N
Compound name
8,8-dimethyl-10-oxa-19-azapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(19),2,4,6,12(20),13,15,17-octaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1103 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11758 169.1
[M+Na]+ 324.09952 180.7
[M-H]- 300.10302 175.6
[M+NH4]+ 319.14412 189.9
[M+K]+ 340.07346 175.2
[M+H-H2O]+ 284.10756 160.4
[M+HCOO]- 346.10850 184.9
[M+CH3COO]- 360.12415 181.3
[M+Na-2H]- 322.08497 176.1
[M]+ 301.10975 172.5
[M]- 301.11085 172.5
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.