CID 20496124

2-[(2-aminophenyl)sulfanyl]-1-phenylethan-1-ol

Structural Information

Molecular Formula
C14H15NOS
SMILES
C1=CC=C(C=C1)C(CSC2=CC=CC=C2N)O
InChI
InChI=1S/C14H15NOS/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h1-9,13,16H,10,15H2
InChIKey
CKIUIBQGVLWRPO-UHFFFAOYSA-N
Compound name
2-(2-aminophenyl)sulfanyl-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

245.08743 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.094706 153.7
[M+Na]+ 268.076648 160.0
[M-H]- 244.080154 158.5
[M+NH4]+ 263.121253 170.2
[M+K]+ 284.050588 154.7
[M+H-H2O]+ 228.084690 146.7
[M+HCOO]- 290.085631 171.0
[M+CH3COO]- 304.101281 191.5
[M+Na-2H]- 266.062096 156.1
[M]+ 245.08688142 152.7
[M]- 245.08797858 152.7
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

patents stripe