CID 165361452

A7h92c7qr9

Structural Information

Molecular Formula
C17H19NOS
SMILES
CC(C(=O)C1=CC=C(C=C1)SC)NCC2=CC=CC=C2
InChI
InChI=1S/C17H19NOS/c1-13(18-12-14-6-4-3-5-7-14)17(19)15-8-10-16(20-2)11-9-15/h3-11,13,18H,12H2,1-2H3
InChIKey
BLPODMGHNWNNJH-UHFFFAOYSA-N
Compound name
2-(benzylamino)-1-(4-methylsulfanylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

285.11874 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12602 166.4
[M+Na]+ 308.10796 171.6
[M-H]- 284.11146 172.6
[M+NH4]+ 303.15256 182.0
[M+K]+ 324.08190 166.9
[M+H-H2O]+ 268.11600 158.5
[M+HCOO]- 330.11694 183.9
[M+CH3COO]- 344.13259 203.6
[M+Na-2H]- 306.09341 167.5
[M]+ 285.11819 167.9
[M]- 285.11929 167.9
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.