CID 455080

Bdbm1359

Structural Information

Molecular Formula
C14H11NO2S
SMILES
C1CSC2(N1C(=O)C3=CC=CC=C32)C4=CC=CO4
InChI
InChI=1S/C14H11NO2S/c16-13-10-4-1-2-5-11(10)14(12-6-3-8-17-12)15(13)7-9-18-14/h1-6,8H,7,9H2
InChIKey
DTMBEFZFARMRPN-UHFFFAOYSA-N
Compound name
9b-(furan-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

2
Patents

257.05106 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05834 156.2
[M+Na]+ 280.04028 167.7
[M-H]- 256.04378 165.6
[M+NH4]+ 275.08488 180.8
[M+K]+ 296.01422 165.3
[M+H-H2O]+ 240.04832 152.6
[M+HCOO]- 302.04926 174.0
[M+CH3COO]- 316.06491 170.4
[M+Na-2H]- 278.02573 157.6
[M]+ 257.05051 160.3
[M]- 257.05161 160.3
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.