CID 44119

62674-77-5

Structural Information

Molecular Formula
C18H21ClN2OS
SMILES
CN(C)CCC(C1=CC=CC=C1SC2=CC=C(C=C2)Cl)C(=O)N
InChI
InChI=1S/C18H21ClN2OS/c1-21(2)12-11-16(18(20)22)15-5-3-4-6-17(15)23-14-9-7-13(19)8-10-14/h3-10,16H,11-12H2,1-2H3,(H2,20,22)
InChIKey
NFTCAVZZXMAPNE-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.10632 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11360 181.3
[M+Na]+ 371.09554 186.8
[M-H]- 347.09904 188.3
[M+NH4]+ 366.14014 195.4
[M+K]+ 387.06948 181.2
[M+H-H2O]+ 331.10358 173.7
[M+HCOO]- 393.10452 194.7
[M+CH3COO]- 407.12017 219.0
[M+Na-2H]- 369.08099 179.7
[M]+ 348.10577 185.3
[M]- 348.10687 185.3
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.