CID 53734

2'-(p-chlorophenylthio)-2-(diethylamino)acetanilide oxalate

Structural Information

Molecular Formula
C18H21ClN2OS
SMILES
CCN(CC)CC(=O)NC1=CC=CC=C1SC2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H21ClN2OS/c1-3-21(4-2)13-18(22)20-16-7-5-6-8-17(16)23-15-11-9-14(19)10-12-15/h5-12H,3-4,13H2,1-2H3,(H,20,22)
InChIKey
PDGZYWUWJJKFPR-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.10632 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11360 181.2
[M+Na]+ 371.09554 187.1
[M-H]- 347.09904 188.8
[M+NH4]+ 366.14014 195.8
[M+K]+ 387.06948 181.3
[M+H-H2O]+ 331.10358 173.4
[M+HCOO]- 393.10452 196.3
[M+CH3COO]- 407.12017 218.0
[M+Na-2H]- 369.08099 181.6
[M]+ 348.10577 186.7
[M]- 348.10687 186.7
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.