CID 198246

2-(1-hydroxyethyl)-4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2h-1,4-benzothiazine

Structural Information

Molecular Formula
C21H28N2OS
SMILES
CC(C1C(N(C2=CC=CC=C2S1)CCCN(C)C)C3=CC=CC=C3)O
InChI
InChI=1S/C21H28N2OS/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/h4-8,10-13,16,20-21,24H,9,14-15H2,1-3H3
InChIKey
NLHSAORUHYEBFE-UHFFFAOYSA-N
Compound name
1-[4-[3-(dimethylamino)propyl]-3-phenyl-2,3-dihydro-1,4-benzothiazin-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.19223 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19951 184.6
[M+Na]+ 379.18145 197.1
[M+NH4]+ 374.22605 193.5
[M+K]+ 395.15539 187.1
[M-H]- 355.18495 190.1
[M+Na-2H]- 377.16690 191.4
[M]+ 356.19168 188.5
[M]- 356.19278 188.5
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.