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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	286.053236	160.9
[M+Na]+	308.035178	169.7
[M-H]-	284.038684	168.0
[M+NH4]+	303.079783	178.7
[M+K]+	324.009118	169.4
[M+H-H2O]+	268.043220	156.5
[M+HCOO]-	330.044161	173.2
[M+CH3COO]-	344.059811	172.6
[M+Na-2H]-	306.020626	164.3
[M]+	285.04541142	160.7
[M]-	285.04650858	160.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.