CID 59383

C 4926

Structural Information

Molecular Formula
C15H23ClN2OS
SMILES
CCN(CC)CCSCC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C15H23ClN2OS/c1-4-18(5-2)9-10-20-11-14(19)17-15-12(3)7-6-8-13(15)16/h6-8H,4-5,9-11H2,1-3H3,(H,17,19)
InChIKey
YVVBZHPHDVMWIS-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethylsulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12195 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12923 173.9
[M+Na]+ 337.11117 179.6
[M-H]- 313.11467 178.4
[M+NH4]+ 332.15577 190.3
[M+K]+ 353.08511 174.9
[M+H-H2O]+ 297.11921 167.3
[M+HCOO]- 359.12015 188.3
[M+CH3COO]- 373.13580 213.5
[M+Na-2H]- 335.09662 172.9
[M]+ 314.12140 180.5
[M]- 314.12250 180.5
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.