CID 444703

(r)-(+)9b-(3-methyl)phenyl-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one

Structural Information

Molecular Formula
C17H15NOS
SMILES
CC1=CC(=CC=C1)[C@@]23C4=CC=CC=C4C(=O)N2CCS3
InChI
InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3/t17-/m1/s1
InChIKey
FQVDJZWFSZSGGA-QGZVFWFLSA-N
Compound name
(9bR)-9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

281.08743 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09471 165.0
[M+Na]+ 304.07665 175.9
[M-H]- 280.08015 173.1
[M+NH4]+ 299.12125 188.3
[M+K]+ 320.05059 170.5
[M+H-H2O]+ 264.08469 159.2
[M+HCOO]- 326.08563 181.3
[M+CH3COO]- 340.10128 177.9
[M+Na-2H]- 302.06210 166.2
[M]+ 281.08688 167.3
[M]- 281.08798 167.3
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

patents stripe