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 152.0
[M+Na]+ 289.99160 161.2
[M-H]- 265.99510 155.1
[M+NH4]+ 285.03620 170.2
[M+K]+ 305.96554 157.6
[M+H-H2O]+ 249.99964 148.2
[M+HCOO]- 312.00058 158.4
[M+CH3COO]- 326.01623 163.5
[M+Na-2H]- 287.97705 153.6
[M]+ 267.00183 153.6
[M]- 267.00293 153.6
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