CID 13428498

97713-46-7

Structural Information

Molecular Formula
C17H19NOS
SMILES
CCN1CC(SC2=CC=CC=C21)C(C3=CC=CC=C3)O
InChI
InChI=1S/C17H19NOS/c1-2-18-12-16(17(19)13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)18/h3-11,16-17,19H,2,12H2,1H3
InChIKey
YRIQEPAPAYUNBO-UHFFFAOYSA-N
Compound name
(4-ethyl-2,3-dihydro-1,4-benzothiazin-2-yl)-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11874 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12602 163.8
[M+Na]+ 308.10796 169.9
[M-H]- 284.11146 168.0
[M+NH4]+ 303.15256 178.9
[M+K]+ 324.08190 164.3
[M+H-H2O]+ 268.11600 156.0
[M+HCOO]- 330.11694 175.6
[M+CH3COO]- 344.13259 173.9
[M+Na-2H]- 306.09341 166.1
[M]+ 285.11819 162.5
[M]- 285.11929 162.5
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.