CID 3039689

Ethanol, 2-((4-(phenylthio)phenyl)amino)-

Structural Information

Molecular Formula
C14H15NOS
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)NCCO
InChI
InChI=1S/C14H15NOS/c16-11-10-15-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9,15-16H,10-11H2
InChIKey
PHUAXKXQDXQNET-UHFFFAOYSA-N
Compound name
2-(4-phenylsulfanylanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.094706 152.5
[M+Na]+ 268.076648 159.2
[M-H]- 244.080154 157.8
[M+NH4]+ 263.121253 169.4
[M+K]+ 284.050588 153.7
[M+H-H2O]+ 228.084690 145.4
[M+HCOO]- 290.085631 171.6
[M+CH3COO]- 304.101281 191.2
[M+Na-2H]- 266.062096 157.1
[M]+ 245.08688142 153.1
[M]- 245.08797858 153.1
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.