CID 455093

9b-(3-hydroxyphenyl)-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one

Structural Information

Molecular Formula
C16H13NO2S
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)O
InChI
InChI=1S/C16H13NO2S/c18-12-5-3-4-11(10-12)16-14-7-2-1-6-13(14)15(19)17(16)8-9-20-16/h1-7,10,18H,8-9H2
InChIKey
VLVZNPNEXWRNBP-UHFFFAOYSA-N
Compound name
9b-(3-hydroxyphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.0667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07398 163.6
[M+Na]+ 306.05592 174.4
[M-H]- 282.05942 170.6
[M+NH4]+ 301.10052 186.1
[M+K]+ 322.02986 168.9
[M+H-H2O]+ 266.06396 158.5
[M+HCOO]- 328.06490 179.0
[M+CH3COO]- 342.08055 176.2
[M+Na-2H]- 304.04137 165.5
[M]+ 283.06615 165.4
[M]- 283.06725 165.4
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

No patent data available for this compound.