CID 3061151

2,3-dihydro-7-methoxy-5h,10bh-thiazolo(3,2-c)(1,3)benzoxazine-5-thione

Structural Information

Molecular Formula
C11H11NO2S2
SMILES
COC1=CC=CC2=C1OC(=S)N3C2SCC3
InChI
InChI=1S/C11H11NO2S2/c1-13-8-4-2-3-7-9(8)14-11(15)12-5-6-16-10(7)12/h2-4,10H,5-6H2,1H3
InChIKey
HDTRKUYYXHKLQQ-UHFFFAOYSA-N
Compound name
7-methoxy-3,10b-dihydro-2H-[1,3]thiazolo[3,2-c][1,3]benzoxazine-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.02312 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03040 149.0
[M+Na]+ 276.01234 159.1
[M-H]- 252.01584 153.6
[M+NH4]+ 271.05694 168.8
[M+K]+ 291.98628 156.0
[M+H-H2O]+ 236.02038 144.7
[M+HCOO]- 298.02132 157.6
[M+CH3COO]- 312.03697 161.4
[M+Na-2H]- 273.99779 151.3
[M]+ 253.02257 152.1
[M]- 253.02367 152.1
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