CID 6481698

4h,7h-furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8,9-dihydro-8-(4-methylphenyl)-

Structural Information

Molecular Formula
C20H15NO3
SMILES
CC1=CC=C(C=C1)N2CC3=CC4=C5C(=C3OC2)C=CC=C5C(=O)O4
InChI
InChI=1S/C20H15NO3/c1-12-5-7-14(8-6-12)21-10-13-9-17-18-15(19(13)23-11-21)3-2-4-16(18)20(22)24-17/h2-9H,10-11H2,1H3
InChIKey
UIUKZXMUPFOLKM-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-3,10-dioxa-5-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,9(16),12,14-pentaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1052 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11248 171.7
[M+Na]+ 340.09442 181.4
[M-H]- 316.09792 180.7
[M+NH4]+ 335.13902 187.1
[M+K]+ 356.06836 178.0
[M+H-H2O]+ 300.10246 163.1
[M+HCOO]- 362.10340 187.1
[M+CH3COO]- 376.11905 183.4
[M+Na-2H]- 338.07987 176.9
[M]+ 317.10465 174.4
[M]- 317.10575 174.4
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.