CID 501244

3-pyridinol,2-[[(2,5-dimethylphenyl)methyl]thio]-

Structural Information

Molecular Formula
C14H15NOS
SMILES
CC1=CC(=C(C=C1)C)CSC2=C(C=CC=N2)O
InChI
InChI=1S/C14H15NOS/c1-10-5-6-11(2)12(8-10)9-17-14-13(16)4-3-7-15-14/h3-8,16H,9H2,1-2H3
InChIKey
LXWBPNCRFBCIHV-UHFFFAOYSA-N
Compound name
2-[(2,5-dimethylphenyl)methylsulfanyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08743 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09471 153.1
[M+Na]+ 268.07665 162.5
[M-H]- 244.08015 157.9
[M+NH4]+ 263.12125 169.7
[M+K]+ 284.05059 157.1
[M+H-H2O]+ 228.08469 145.9
[M+HCOO]- 290.08563 169.9
[M+CH3COO]- 304.10128 191.2
[M+Na-2H]- 266.06210 155.7
[M]+ 245.08688 155.7
[M]- 245.08798 155.7
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.