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]+ 286.126016 163.8
[M+Na]+ 308.107958 169.9
[M-H]- 284.111464 168.0
[M+NH4]+ 303.152563 178.9
[M+K]+ 324.081898 164.3
[M+H-H2O]+ 268.116000 156.0
[M+HCOO]- 330.116941 175.6
[M+CH3COO]- 344.132591 173.9
[M+Na-2H]- 306.093406 166.1
[M]+ 285.11819142 162.5
[M]- 285.11928858 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.