CID 3006721

2-pyridinol, 5-(2,3-dihydro-2-benzothiazolyl)-

Structural Information

Molecular Formula
C12H10N2OS
SMILES
C1=CC=C2C(=C1)NC(S2)C3=CNC(=O)C=C3
InChI
InChI=1S/C12H10N2OS/c15-11-6-5-8(7-13-11)12-14-9-3-1-2-4-10(9)16-12/h1-7,12,14H,(H,13,15)
InChIKey
LJNYETIDVIVAFI-UHFFFAOYSA-N
Compound name
5-(2,3-dihydro-1,3-benzothiazol-2-yl)-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.05139 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05867 147.2
[M+Na]+ 253.04061 157.2
[M-H]- 229.04411 150.3
[M+NH4]+ 248.08521 164.9
[M+K]+ 269.01455 150.7
[M+H-H2O]+ 213.04865 140.8
[M+HCOO]- 275.04959 161.6
[M+CH3COO]- 289.06524 159.2
[M+Na-2H]- 251.02606 150.6
[M]+ 230.05084 145.4
[M]- 230.05194 145.4
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.