CID 455097

Thiazoloisoindol-5-one deriv. 22

Structural Information

Molecular Formula
C17H15NOS
SMILES
CC1=CC=CC=C1C23C4=CC=CC=C4C(=O)N2CCS3
InChI
InChI=1S/C17H15NOS/c1-12-6-2-4-8-14(12)17-15-9-5-3-7-13(15)16(19)18(17)10-11-20-17/h2-9H,10-11H2,1H3
InChIKey
ZOVNBLKRZNPNPX-UHFFFAOYSA-N
Compound name
9b-(2-methylphenyl)-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

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

No patent data available for this compound.