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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13182 167.4
[M+Na]+ 315.11376 170.3
[M-H]- 291.11726 171.5
[M+NH4]+ 310.15836 181.0
[M+K]+ 331.08770 167.1
[M+H-H2O]+ 275.12180 159.2
[M+HCOO]- 337.12274 179.4
[M+CH3COO]- 351.13839 202.8
[M+Na-2H]- 313.09921 165.9
[M]+ 292.12399 164.6
[M]- 292.12509 164.6
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