CID 3061154

2,3-dihydro-5-thioxo-5h,10bh-thiazolo(3,2-c)(1,3)benzoxazine-3-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3S2
SMILES
C1C(N2C(S1)C3=CC=CC=C3OC2=S)C(=O)O
InChI
InChI=1S/C11H9NO3S2/c13-10(14)7-5-17-9-6-3-1-2-4-8(6)15-11(16)12(7)9/h1-4,7,9H,5H2,(H,13,14)
InChIKey
PDIWNZBOESKYHQ-UHFFFAOYSA-N
Compound name
5-sulfanylidene-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.00238 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00966 153.5
[M+Na]+ 289.99160 163.9
[M+NH4]+ 285.03620 162.3
[M+K]+ 305.96554 156.9
[M-H]- 265.99510 155.8
[M+Na-2H]- 287.97705 154.7
[M]+ 267.00183 156.4
[M]- 267.00293 156.4
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

patents stripe