CID 11834790

1-(2-(4-chloro-2-(1-hydroxyethyl)phenylthio)benzoyl)-4-methylpiperazine hydrogen maleate

Structural Information

Molecular Formula
C20H23ClN2O2S
SMILES
CC(C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2C(=O)N3CCN(CC3)C)O
InChI
InChI=1S/C20H23ClN2O2S/c1-14(24)17-13-15(21)7-8-19(17)26-18-6-4-3-5-16(18)20(25)23-11-9-22(2)10-12-23/h3-8,13-14,24H,9-12H2,1-2H3
InChIKey
XHCDZVYXZIGXKH-UHFFFAOYSA-N
Compound name
[2-[4-chloro-2-(1-hydroxyethyl)phenyl]sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.11688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12416 190.3
[M+Na]+ 413.10610 204.4
[M+NH4]+ 408.15070 197.9
[M+K]+ 429.08004 194.7
[M-H]- 389.10960 195.1
[M+Na-2H]- 411.09155 197.5
[M]+ 390.11633 194.4
[M]- 390.11743 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

patents stripe