CID 455117

5-oxo-9b-phenyl-2,3-dihydrothiazolo[2,3-a]isoindole-3-carboxamide

Structural Information

Molecular Formula
C17H14N2O2S
SMILES
C1C(N2C(=O)C3=CC=CC=C3C2(S1)C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C17H14N2O2S/c18-15(20)14-10-22-17(11-6-2-1-3-7-11)13-9-5-4-8-12(13)16(21)19(14)17/h1-9,14H,10H2,(H2,18,20)
InChIKey
ZINJLUPMQLTYBO-UHFFFAOYSA-N
Compound name
5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

310.0776 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08488 170.6
[M+Na]+ 333.06682 180.1
[M-H]- 309.07032 178.1
[M+NH4]+ 328.11142 191.7
[M+K]+ 349.04076 174.9
[M+H-H2O]+ 293.07486 164.9
[M+HCOO]- 355.07580 186.5
[M+CH3COO]- 369.09145 182.4
[M+Na-2H]- 331.05227 171.3
[M]+ 310.07705 171.5
[M]- 310.07815 171.5
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