CID 507196

8-fluoro-4-phenyl-spiro[5h-1,5-benzothiazepine-2,3'-indoline]-2'-one

Structural Information

Molecular Formula
C22H15FN2OS
SMILES
C1=CC=C(C=C1)C2=CC3(C4=CC=CC=C4NC3=O)SC5=C(N2)C=CC(=C5)F
InChI
InChI=1S/C22H15FN2OS/c23-15-10-11-18-20(12-15)27-22(13-19(24-18)14-6-2-1-3-7-14)16-8-4-5-9-17(16)25-21(22)26/h1-13,24H,(H,25,26)
InChIKey
WDFMMZQZUMQJAE-UHFFFAOYSA-N
Compound name
8'-fluoro-4'-phenylspiro[1H-indole-3,2'-5H-1,5-benzothiazepine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0889 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.09618 189.9
[M+Na]+ 397.07812 199.4
[M-H]- 373.08162 195.7
[M+NH4]+ 392.12272 203.9
[M+K]+ 413.05206 193.4
[M+H-H2O]+ 357.08616 181.6
[M+HCOO]- 419.08710 199.5
[M+CH3COO]- 433.10275 198.4
[M+Na-2H]- 395.06357 191.5
[M]+ 374.08835 184.5
[M]- 374.08945 184.5
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.