CID 455142

Thiazoloisoindol-5-one deriv. 70

Structural Information

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

3
Patents

282.08267 Da
Monoisotopic Mass

2.3
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

patents stripe