CID 455086

Thiazoloisoindol-5-one deriv. 10

Structural Information

Molecular Formula
C19H19NOS
SMILES
CC(C)C1=CC=C(C=C1)C23C4=CC=CC=C4C(=O)N2CCS3
InChI
InChI=1S/C19H19NOS/c1-13(2)14-7-9-15(10-8-14)19-17-6-4-3-5-16(17)18(21)20(19)11-12-22-19/h3-10,13H,11-12H2,1-2H3
InChIKey
GLLJAXZJBYUJIC-UHFFFAOYSA-N
Compound name
9b-(4-propan-2-ylphenyl)-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

309.11874 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12602 174.2
[M+Na]+ 332.10796 183.8
[M-H]- 308.11146 182.0
[M+NH4]+ 327.15256 196.3
[M+K]+ 348.08190 178.4
[M+H-H2O]+ 292.11600 168.3
[M+HCOO]- 354.11694 188.8
[M+CH3COO]- 368.13259 186.1
[M+Na-2H]- 330.09341 173.4
[M]+ 309.11819 176.6
[M]- 309.11929 176.6
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.