CID 455141

Thiazoloisoindol-5-one deriv. 69

Structural Information

Molecular Formula
C16H14N2OS
SMILES
CC1=NC(=CC=C1)C23C4=CC=CC=C4C(=O)N2CCS3
InChI
InChI=1S/C16H14N2OS/c1-11-5-4-8-14(17-11)16-13-7-3-2-6-12(13)15(19)18(16)9-10-20-16/h2-8H,9-10H2,1H3
InChIKey
BRGBZAQYJOQKQK-UHFFFAOYSA-N
Compound name
9b-(6-methylpyridin-2-yl)-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

282.08267 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 164.2
[M+Na]+ 305.07189 175.7
[M-H]- 281.07539 171.2
[M+NH4]+ 300.11649 186.2
[M+K]+ 321.04583 170.4
[M+H-H2O]+ 265.07993 157.7
[M+HCOO]- 327.08087 179.7
[M+CH3COO]- 341.09652 176.9
[M+Na-2H]- 303.05734 165.7
[M]+ 282.08212 166.7
[M]- 282.08322 166.7
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.