CID 39234

42583-66-4

Structural Information

Molecular Formula
C21H26N2OS
SMILES
CC(=O)C1C(N(C2=CC=CC=C2S1)CCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2OS/c1-16(24)21-20(17-10-5-4-6-11-17)23(15-9-14-22(2)3)18-12-7-8-13-19(18)25-21/h4-8,10-13,20-21H,9,14-15H2,1-3H3
InChIKey
KJKUTCSZMKBGKI-UHFFFAOYSA-N
Compound name
1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.17657 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.183846 184.6
[M+Na]+ 377.165788 189.5
[M-H]- 353.169294 190.9
[M+NH4]+ 372.210393 197.9
[M+K]+ 393.139728 184.6
[M+H-H2O]+ 337.173830 175.3
[M+HCOO]- 399.174771 197.9
[M+CH3COO]- 413.190421 221.1
[M+Na-2H]- 375.151236 184.5
[M]+ 354.17602142 186.6
[M]- 354.17711858 186.6
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.