CID 455094

9b-(3-aminophenyl)-2,3-dihydrothiazolo[2,3-a]isoindol-5(9bh)-one

Structural Information

Molecular Formula
C16H14N2OS
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC(=CC=C4)N
InChI
InChI=1S/C16H14N2OS/c17-12-5-3-4-11(10-12)16-14-7-2-1-6-13(14)15(19)18(16)8-9-20-16/h1-7,10H,8-9,17H2
InChIKey
OSSPYALNBGOJSE-UHFFFAOYSA-N
Compound name
9b-(3-aminophenyl)-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 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

patents stripe