CID 24840324

Nm-569

Structural Information

Molecular Formula
C15H21ClN2O2S
SMILES
C1COCCN1CCC(=O)NCCSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H21ClN2O2S/c16-13-1-3-14(4-2-13)21-12-6-17-15(19)5-7-18-8-10-20-11-9-18/h1-4H,5-12H2,(H,17,19)
InChIKey
BIIUPJMPEQQLQM-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.10123 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10851 174.5
[M+Na]+ 351.09045 178.5
[M-H]- 327.09395 179.0
[M+NH4]+ 346.13505 186.5
[M+K]+ 367.06439 174.2
[M+H-H2O]+ 311.09849 166.6
[M+HCOO]- 373.09943 183.1
[M+CH3COO]- 387.11508 205.5
[M+Na-2H]- 349.07590 175.3
[M]+ 328.10068 176.0
[M]- 328.10178 176.0
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.