CID 83794157

1518549-00-2

Structural Information

Molecular Formula
C14H10N2OS
SMILES
C1=CC(=CC=C1C2=CSC(=N2)C3=CC=NC=C3)O
InChI
InChI=1S/C14H10N2OS/c17-12-3-1-10(2-4-12)13-9-18-14(16-13)11-5-7-15-8-6-11/h1-9,17H
InChIKey
LQSIFOZCGFIBRI-UHFFFAOYSA-N
Compound name
4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.05139 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.058666 154.1
[M+Na]+ 277.040608 164.5
[M-H]- 253.044114 161.1
[M+NH4]+ 272.085213 170.2
[M+K]+ 293.014548 158.5
[M+H-H2O]+ 237.048650 146.2
[M+HCOO]- 299.049591 172.2
[M+CH3COO]- 313.065241 166.8
[M+Na-2H]- 275.026056 157.0
[M]+ 254.05084142 155.3
[M]- 254.05193858 155.3
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.