CID 3077482

N,n-dimethyl-3-(3-hydroxyphenylthio)-2-thienylamine hemioxalate

Structural Information

Molecular Formula
C13H15NOS2
SMILES
CN(C)CC1=C(C=CS1)SC2=CC=CC(=C2)O
InChI
InChI=1S/C13H15NOS2/c1-14(2)9-13-12(6-7-16-13)17-11-5-3-4-10(15)8-11/h3-8,15H,9H2,1-2H3
InChIKey
ZTKIVSJCXCYELD-UHFFFAOYSA-N
Compound name
3-[2-[(dimethylamino)methyl]thiophen-3-yl]sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0595 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06678 156.6
[M+Na]+ 288.04872 167.9
[M+NH4]+ 283.09332 166.3
[M+K]+ 304.02266 159.1
[M-H]- 264.05222 161.7
[M+Na-2H]- 286.03417 163.4
[M]+ 265.05895 160.6
[M]- 265.06005 160.6
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.