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]+ 284.073976 163.6
[M+Na]+ 306.055918 174.4
[M-H]- 282.059424 170.6
[M+NH4]+ 301.100523 186.1
[M+K]+ 322.029858 168.9
[M+H-H2O]+ 266.063960 158.5
[M+HCOO]- 328.064901 179.0
[M+CH3COO]- 342.080551 176.2
[M+Na-2H]- 304.041366 165.5
[M]+ 283.06615142 165.4
[M]- 283.06724858 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

literature stripe

Patent stripe

No patent data available for this compound.