CID 338569

Chromeno(3,4-b)(1,4)benzothiazin-6(12h)-one

Structural Information

Molecular Formula
C15H9NO2S
SMILES
C1=CC=C2C(=C1)C3=C(C(=O)O2)SC4=CC=CC=C4N3
InChI
InChI=1S/C15H9NO2S/c17-15-14-13(9-5-1-3-7-11(9)18-15)16-10-6-2-4-8-12(10)19-14/h1-8,16H
InChIKey
BUPPVTUKPWAYCH-UHFFFAOYSA-N
Compound name
12H-chromeno[3,4-b][1,4]benzothiazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

267.0354 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04268 151.1
[M+Na]+ 290.02462 162.1
[M-H]- 266.02812 155.9
[M+NH4]+ 285.06922 168.2
[M+K]+ 305.99856 156.9
[M+H-H2O]+ 250.03266 144.2
[M+HCOO]- 312.03360 163.9
[M+CH3COO]- 326.04925 163.4
[M+Na-2H]- 288.01007 160.6
[M]+ 267.03485 153.1
[M]- 267.03595 153.1
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.