CID 198945

Nm 572

Structural Information

Molecular Formula
C21H27ClN2OS
SMILES
C1COCCN1CCCN(CCSC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C21H27ClN2OS/c22-19-7-9-21(10-8-19)26-18-15-24(20-5-2-1-3-6-20)12-4-11-23-13-16-25-17-14-23/h1-3,5-10H,4,11-18H2
InChIKey
HIKITGXAUDFWCO-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylethyl]-N-(3-morpholin-4-ylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.15326 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16054 192.1
[M+Na]+ 413.14248 195.3
[M-H]- 389.14598 200.3
[M+NH4]+ 408.18708 201.8
[M+K]+ 429.11642 190.1
[M+H-H2O]+ 373.15052 182.0
[M+HCOO]- 435.15146 201.3
[M+CH3COO]- 449.16711 200.2
[M+Na-2H]- 411.12793 192.7
[M]+ 390.15271 194.4
[M]- 390.15381 194.4
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.