CID 3011165

3h,5h,13h-naphth[2,3-f]oxazolo[4,3-c][1,4]oxazepine-5,13-dione, 1,13a-dihydro-1-methyl-, (1r,13as)-

Structural Information

Molecular Formula
C16H13NO4
SMILES
C[C@@H]1[C@H]2C(=O)OC3=CC4=CC=CC=C4C=C3C(=O)N2CO1
InChI
InChI=1S/C16H13NO4/c1-9-14-16(19)21-13-7-11-5-3-2-4-10(11)6-12(13)15(18)17(14)8-20-9/h2-7,9,14H,8H2,1H3/t9-,14+/m1/s1
InChIKey
YJNDCJSFMKMJPI-OTYXRUKQSA-N
Compound name
(6R,7S)-6-methyl-5,9-dioxa-3-azatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),10,12,14,16-pentaene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.08447 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 159.2
[M+Na]+ 306.07369 168.6
[M-H]- 282.07719 167.3
[M+NH4]+ 301.11829 175.5
[M+K]+ 322.04763 169.5
[M+H-H2O]+ 266.08173 154.1
[M+HCOO]- 328.08267 174.9
[M+CH3COO]- 342.09832 171.5
[M+Na-2H]- 304.05914 164.4
[M]+ 283.08392 159.2
[M]- 283.08502 159.2
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.