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]+ 255.05867 154.1
[M+Na]+ 277.04061 164.5
[M-H]- 253.04411 161.1
[M+NH4]+ 272.08521 170.2
[M+K]+ 293.01455 158.5
[M+H-H2O]+ 237.04865 146.2
[M+HCOO]- 299.04959 172.2
[M+CH3COO]- 313.06524 166.8
[M+Na-2H]- 275.02606 157.0
[M]+ 254.05084 155.3
[M]- 254.05194 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.