CID 444704

(r)-(+) 5(9bh)-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-3-carboxylic acid methyl ester

Structural Information

Molecular Formula
C18H15NO3S
SMILES
COC(=O)[C@@H]1CS[C@]2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C18H15NO3S/c1-22-17(21)15-11-23-18(12-7-3-2-4-8-12)14-10-6-5-9-13(14)16(20)19(15)18/h2-10,15H,11H2,1H3/t15-,18+/m0/s1
InChIKey
JYIHODAXBBPFQF-MAUKXSAKSA-N
Compound name
methyl (3R,9bR)-5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.07727 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.08455 176.1
[M+Na]+ 348.06649 185.9
[M-H]- 324.06999 184.1
[M+NH4]+ 343.11109 197.2
[M+K]+ 364.04043 181.5
[M+H-H2O]+ 308.07453 170.4
[M+HCOO]- 370.07547 191.5
[M+CH3COO]- 384.09112 188.0
[M+Na-2H]- 346.05194 176.4
[M]+ 325.07672 180.2
[M]- 325.07782 180.2
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.