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]+ 246.09471 152.5
[M+Na]+ 268.07665 159.2
[M-H]- 244.08015 157.8
[M+NH4]+ 263.12125 169.4
[M+K]+ 284.05059 153.7
[M+H-H2O]+ 228.08469 145.4
[M+HCOO]- 290.08563 171.6
[M+CH3COO]- 304.10128 191.2
[M+Na-2H]- 266.06210 157.1
[M]+ 245.08688 153.1
[M]- 245.08798 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.