CID 3042343

59594-24-0

Structural Information

Molecular Formula
C24H30ClN3O
SMILES
C1CCN(C(C1)CCN2CCN(CC2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H30ClN3O/c25-21-9-11-22(12-10-21)27-18-16-26(17-19-27)15-13-23-8-4-5-14-28(23)24(29)20-6-2-1-3-7-20/h1-3,6-7,9-12,23H,4-5,8,13-19H2
InChIKey
AOXGWMAUJOHULB-UHFFFAOYSA-N
Compound name
[2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.20773 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.21501 203.1
[M+Na]+ 434.19695 204.9
[M-H]- 410.20045 208.5
[M+NH4]+ 429.24155 208.6
[M+K]+ 450.17089 196.9
[M+H-H2O]+ 394.20499 189.2
[M+HCOO]- 456.20593 208.3
[M+CH3COO]- 470.22158 208.2
[M+Na-2H]- 432.18240 200.4
[M]+ 411.20718 196.2
[M]- 411.20828 196.2
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.