CID 455081

Thiazoloisoindol-5-one deriv. 5

Structural Information

Molecular Formula
C14H12N2OS
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CN4
InChI
InChI=1S/C14H12N2OS/c17-13-10-4-1-2-5-11(10)14(12-6-3-7-15-12)16(13)8-9-18-14/h1-7,15H,8-9H2
InChIKey
TZBCIGPFOXIPMV-UHFFFAOYSA-N
Compound name
9b-(1H-pyrrol-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

0
Patents

256.06705 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07433 158.0
[M+Na]+ 279.05627 169.1
[M-H]- 255.05977 164.2
[M+NH4]+ 274.10087 182.0
[M+K]+ 295.03021 164.4
[M+H-H2O]+ 239.06431 153.1
[M+HCOO]- 301.06525 173.8
[M+CH3COO]- 315.08090 170.9
[M+Na-2H]- 277.04172 158.1
[M]+ 256.06650 159.1
[M]- 256.06760 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.