CID 3011167

7h,9h,12h-naphtho[2,1-f]thiazolo[4,3-c][1,4]oxazepine-7,12-dione, 11,11a-dihydro-

Structural Information

Molecular Formula
C15H11NO3S
SMILES
C1C2C(=O)OC3=C(C=CC4=CC=CC=C43)C(=O)N2CS1
InChI
InChI=1S/C15H11NO3S/c17-14-11-6-5-9-3-1-2-4-10(9)13(11)19-15(18)12-7-20-8-16(12)14/h1-6,12H,7-8H2
InChIKey
VYUNTFAJJNHCOQ-UHFFFAOYSA-N
Compound name
18-oxa-14-thia-12-azatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),2,4,6,8-pentaene-11,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.04596 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05324 160.9
[M+Na]+ 308.03518 169.7
[M-H]- 284.03868 168.0
[M+NH4]+ 303.07978 178.7
[M+K]+ 324.00912 169.4
[M+H-H2O]+ 268.04322 156.5
[M+HCOO]- 330.04416 173.2
[M+CH3COO]- 344.05981 172.6
[M+Na-2H]- 306.02063 164.3
[M]+ 285.04541 160.7
[M]- 285.04651 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.