CID 211280

22820-25-3

Structural Information

Molecular Formula
C18H29ClN2O2S
SMILES
CC(C)N(CCN1CCOCC1)CC(CSC2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C18H29ClN2O2S/c1-15(2)21(8-7-20-9-11-23-12-10-20)13-17(22)14-24-18-5-3-16(19)4-6-18/h3-6,15,17,22H,7-14H2,1-2H3
InChIKey
WEFRAEKTHLYJSL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfanyl-3-[2-morpholin-4-ylethyl(propan-2-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.16382 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17110 187.9
[M+Na]+ 395.15304 189.6
[M-H]- 371.15654 191.9
[M+NH4]+ 390.19764 197.9
[M+K]+ 411.12698 186.3
[M+H-H2O]+ 355.16108 179.7
[M+HCOO]- 417.16202 193.3
[M+CH3COO]- 431.17767 217.5
[M+Na-2H]- 393.13849 185.3
[M]+ 372.16327 190.2
[M]- 372.16437 190.2
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.