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]+ 318.112476 171.7
[M+Na]+ 340.094418 181.4
[M-H]- 316.097924 180.7
[M+NH4]+ 335.139023 187.1
[M+K]+ 356.068358 178.0
[M+H-H2O]+ 300.102460 163.1
[M+HCOO]- 362.103401 187.1
[M+CH3COO]- 376.119051 183.4
[M+Na-2H]- 338.079866 176.9
[M]+ 317.10465142 174.4
[M]- 317.10574858 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.