CID 44121

62674-79-7

Structural Information

Molecular Formula
C19H23ClN2OS
SMILES
CN(C)CCCC(C1=CC=CC=C1SC2=CC=C(C=C2)Cl)C(=O)N
InChI
InChI=1S/C19H23ClN2OS/c1-22(2)13-5-7-17(19(21)23)16-6-3-4-8-18(16)24-15-11-9-14(20)10-12-15/h3-4,6,8-12,17H,5,7,13H2,1-2H3,(H2,21,23)
InChIKey
KCEJUVBPTILNAR-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)sulfanylphenyl]-5-(dimethylamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12195 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12923 185.7
[M+Na]+ 385.11117 190.7
[M-H]- 361.11467 192.5
[M+NH4]+ 380.15577 199.3
[M+K]+ 401.08511 184.9
[M+H-H2O]+ 345.11921 177.9
[M+HCOO]- 407.12015 198.8
[M+CH3COO]- 421.13580 221.9
[M+Na-2H]- 383.09662 183.6
[M]+ 362.12140 190.1
[M]- 362.12250 190.1
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.