CID 3024750

Crl 41247

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₂S

SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)N2CCSCC2

InChI

InChI=1S/C15H20N2O2S/c1-11(17-7-9-20-10-8-17)15(19)13-3-5-14(6-4-13)16-12(2)18/h3-6,11H,7-10H2,1-2H3,(H,16,18)

InChIKey

LJTWELAXUZJEGY-UHFFFAOYSA-N

Compound name

N-[4-(2-thiomorpholin-4-ylpropanoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 292.12454 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.131816	167.4
[M+Na]+	315.113758	170.3
[M-H]-	291.117264	171.5
[M+NH4]+	310.158363	181.0
[M+K]+	331.087698	167.1
[M+H-H2O]+	275.121800	159.2
[M+HCOO]-	337.122741	179.4
[M+CH3COO]-	351.138391	202.8
[M+Na-2H]-	313.099206	165.9
[M]+	292.12399142	164.6
[M]-	292.12508858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe