CID 455129

Thiazoloisoindol-5-one deriv. 57

Structural Information

Molecular Formula
C16H14N2OS
SMILES
C1CSC2(N1C(=O)C3=C2C=C(C=C3)N)C4=CC=CC=C4
InChI
InChI=1S/C16H14N2OS/c17-12-6-7-13-14(10-12)16(11-4-2-1-3-5-11)18(15(13)19)8-9-20-16/h1-7,10H,8-9,17H2
InChIKey
XQDYHKPBFXMTHA-UHFFFAOYSA-N
Compound name
8-amino-9b-phenyl-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

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 162.7
[M+Na]+ 305.07189 173.2
[M-H]- 281.07539 170.4
[M+NH4]+ 300.11649 185.3
[M+K]+ 321.04583 167.5
[M+H-H2O]+ 265.07993 157.0
[M+HCOO]- 327.08087 179.7
[M+CH3COO]- 341.09652 175.3
[M+Na-2H]- 303.05734 164.7
[M]+ 282.08212 163.2
[M]- 282.08322 163.2
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.