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]+ 405.22850 197.3
[M+Na]+ 427.21044 197.8
[M-H]- 403.21394 202.9
[M+NH4]+ 422.25504 202.8
[M+K]+ 443.18438 191.2
[M+H-H2O]+ 387.21848 184.7
[M+HCOO]- 449.21942 210.1
[M+CH3COO]- 463.23507 202.8
[M+Na-2H]- 425.19589 194.9
[M]+ 404.22067 189.4
[M]- 404.22177 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.