CID 455096

Thiazoloisoindol-5-one deriv. 21

Structural Information

Molecular Formula
C17H12N2OS
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CC(=C4)C#N
InChI
InChI=1S/C17H12N2OS/c18-11-12-4-3-5-13(10-12)17-15-7-2-1-6-14(15)16(20)19(17)8-9-21-17/h1-7,10H,8-9H2
InChIKey
FJVCNXDVCJZWRQ-UHFFFAOYSA-N
Compound name
3-(5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-9b-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.06705 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07433 176.1
[M+Na]+ 315.05627 190.4
[M-H]- 291.05977 182.8
[M+NH4]+ 310.10087 196.5
[M+K]+ 331.03021 180.3
[M+H-H2O]+ 275.06431 163.6
[M+HCOO]- 337.06525 189.1
[M+CH3COO]- 351.08090 187.0
[M+Na-2H]- 313.04172 176.8
[M]+ 292.06650 173.1
[M]- 292.06760 173.1
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.