CID 211282

22820-26-4

Structural Information

Molecular Formula
C19H31ClN2O2S
SMILES
CC(C)CN(CCN1CCOCC1)CC(CSC2=CC=CC=C2Cl)O
InChI
InChI=1S/C19H31ClN2O2S/c1-16(2)13-22(8-7-21-9-11-24-12-10-21)14-17(23)15-25-19-6-4-3-5-18(19)20/h3-6,16-17,23H,7-15H2,1-2H3
InChIKey
RSAAKBWKXDJMJD-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)sulfanyl-3-[2-methylpropyl(2-morpholin-4-ylethyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.17947 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18675 192.2
[M+Na]+ 409.16869 193.4
[M-H]- 385.17219 196.0
[M+NH4]+ 404.21329 201.7
[M+K]+ 425.14263 189.9
[M+H-H2O]+ 369.17673 183.8
[M+HCOO]- 431.17767 197.3
[M+CH3COO]- 445.19332 220.4
[M+Na-2H]- 407.15414 189.1
[M]+ 386.17892 194.9
[M]- 386.18002 194.9
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.