CID 200764

2664-22-4

Structural Information

Molecular Formula
C18H22ClNO2S
SMILES
C1COCCN1CCC(CC2=CC=CC=C2Cl)(C3=CC=CS3)O
InChI
InChI=1S/C18H22ClNO2S/c19-16-5-2-1-4-15(16)14-18(21,17-6-3-13-23-17)7-8-20-9-11-22-12-10-20/h1-6,13,21H,7-12,14H2
InChIKey
RAKFYGKGWJXIKZ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-morpholin-4-yl-2-thiophen-2-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.106 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11328 181.9
[M+Na]+ 374.09522 187.2
[M-H]- 350.09872 188.7
[M+NH4]+ 369.13982 194.4
[M+K]+ 390.06916 182.0
[M+H-H2O]+ 334.10326 174.7
[M+HCOO]- 396.10420 188.8
[M+CH3COO]- 410.11985 191.1
[M+Na-2H]- 372.08067 181.9
[M]+ 351.10545 182.8
[M]- 351.10655 182.8
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.