CID 3063157

3-(4-(p-chlorophenyl)-1-piperazinyl)-4'-(2-imidazolin-2-ylamino)propiophenone hydriodide

Structural Information

Molecular Formula
C22H26ClN5O
SMILES
C1CN=C(N1)NC2=CC=C(C=C2)C(=O)CCN3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H26ClN5O/c23-18-3-7-20(8-4-18)28-15-13-27(14-16-28)12-9-21(29)17-1-5-19(6-2-17)26-22-24-10-11-25-22/h1-8H,9-16H2,(H2,24,25,26)
InChIKey
KLRZHAFXPSWZDI-UHFFFAOYSA-N
Compound name
3-[4-(4-chlorophenyl)piperazin-1-yl]-1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1826 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.18988 198.6
[M+Na]+ 434.17182 201.9
[M-H]- 410.17532 203.1
[M+NH4]+ 429.21642 204.0
[M+K]+ 450.14576 193.4
[M+H-H2O]+ 394.17986 185.4
[M+HCOO]- 456.18080 206.6
[M+CH3COO]- 470.19645 204.2
[M+Na-2H]- 432.15727 196.8
[M]+ 411.18205 193.1
[M]- 411.18315 193.1
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.