CID 53626288

2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

Structural Information

Molecular Formula
C13H13NOS
SMILES
C1CC(C2=C(C1)N=C(S2)C3=CC=CC=C3)O
InChI
InChI=1S/C13H13NOS/c15-11-8-4-7-10-12(11)16-13(14-10)9-5-2-1-3-6-9/h1-3,5-6,11,15H,4,7-8H2
InChIKey
KQQIRFYLRZBNPW-UHFFFAOYSA-N
Compound name
2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0718 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07908 148.7
[M+Na]+ 254.06102 162.1
[M+NH4]+ 249.10562 159.1
[M+K]+ 270.03496 154.1
[M-H]- 230.06452 153.2
[M+Na-2H]- 252.04647 155.8
[M]+ 231.07125 152.4
[M]- 231.07235 152.4
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.