CID 3063161

1-propanone, 3-(4-benzoyl-1-piperidinyl)-1-(4-((4,5-dihydro-1h-imidazol-2-yl)amino)phenyl)-, monohydriodide

Structural Information

Molecular Formula
C24H28N4O2
SMILES
C1CN(CCC1C(=O)C2=CC=CC=C2)CCC(=O)C3=CC=C(C=C3)NC4=NCCN4
InChI
InChI=1S/C24H28N4O2/c29-22(18-6-8-21(9-7-18)27-24-25-13-14-26-24)12-17-28-15-10-20(11-16-28)23(30)19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H2,25,26,27)
InChIKey
QUJRGXXLEPKXCS-UHFFFAOYSA-N
Compound name
3-(4-benzoylpiperidin-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

404.22122 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.228496 197.3
[M+Na]+ 427.210438 197.8
[M-H]- 403.213944 202.9
[M+NH4]+ 422.255043 202.8
[M+K]+ 443.184378 191.2
[M+H-H2O]+ 387.218480 184.7
[M+HCOO]- 449.219421 210.1
[M+CH3COO]- 463.235071 202.8
[M+Na-2H]- 425.195886 194.9
[M]+ 404.22067142 189.4
[M]- 404.22176858 189.4
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

No patent data available for this compound.