CID 6914152

Elzasonan

Structural Information

Molecular Formula
C22H23Cl2N3OS
SMILES
CN1CCN(CC1)C2=CC=CC=C2/C=C\3/C(=O)N(CCS3)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H23Cl2N3OS/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17/h2-7,14-15H,8-13H2,1H3/b21-14-
InChIKey
LHYMPSWMHXUWSK-STZFKDTASA-N
Compound name
(2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

779
Patents

447.0939 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.10118 204.4
[M+Na]+ 470.08312 220.9
[M+NH4]+ 465.12772 212.6
[M+K]+ 486.05706 208.3
[M-H]- 446.08662 211.4
[M+Na-2H]- 468.06857 212.7
[M]+ 447.09335 209.8
[M]- 447.09445 209.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe