CID 74764

Hetolin hydrochloride

Structural Information

Molecular Formula
C26H25Cl3N2O
SMILES
CN1CCN(CC1)C(=O)CC(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H25Cl3N2O/c1-30-14-16-31(17-15-30)25(32)18-26(19-2-8-22(27)9-3-19,20-4-10-23(28)11-5-20)21-6-12-24(29)13-7-21/h2-13H,14-18H2,1H3
InChIKey
SWDPECKACXBPCX-UHFFFAOYSA-N
Compound name
3,3,3-tris(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1411
Patents

486.10324 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.11052 218.4
[M+Na]+ 509.09246 235.9
[M+NH4]+ 504.13706 226.3
[M+K]+ 525.06640 224.4
[M-H]- 485.09596 225.3
[M+Na-2H]- 507.07791 228.4
[M]+ 486.10269 224.0
[M]- 486.10379 224.0
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