CID 106518

Benzenamine, 3-(ethylthio)-n-phenyl-

Structural Information

Molecular Formula
C14H15NS
SMILES
CCSC1=CC=CC(=C1)NC2=CC=CC=C2
InChI
InChI=1S/C14H15NS/c1-2-16-14-10-6-9-13(11-14)15-12-7-4-3-5-8-12/h3-11,15H,2H2,1H3
InChIKey
YNHGMBTXSRJGLC-UHFFFAOYSA-N
Compound name
3-ethylsulfanyl-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

229.09251 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09979 149.0
[M+Na]+ 252.08173 156.3
[M-H]- 228.08523 155.7
[M+NH4]+ 247.12633 167.3
[M+K]+ 268.05567 151.2
[M+H-H2O]+ 212.08977 141.8
[M+HCOO]- 274.09071 169.3
[M+CH3COO]- 288.10636 161.6
[M+Na-2H]- 250.06718 153.8
[M]+ 229.09196 150.0
[M]- 229.09306 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe