CID 3045563

1-piperazineacetamide, n-methyl-4-((1-(3-oxo-3-phenylpropyl)-1h-benzimidazol-2-yl)methyl)-, (z)-2-butenedioate (1:2)

Structural Information

Molecular Formula
C24H29N5O2
SMILES
CNC(=O)CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H29N5O2/c1-25-24(31)18-28-15-13-27(14-16-28)17-23-26-20-9-5-6-10-21(20)29(23)12-11-22(30)19-7-3-2-4-8-19/h2-10H,11-18H2,1H3,(H,25,31)
InChIKey
SUFCDVNIDHOCEL-UHFFFAOYSA-N
Compound name
N-methyl-2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.23212 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.239396 202.8
[M+Na]+ 442.221338 206.8
[M-H]- 418.224844 207.2
[M+NH4]+ 437.265943 208.9
[M+K]+ 458.195278 200.1
[M+H-H2O]+ 402.229380 190.0
[M+HCOO]- 464.230321 216.9
[M+CH3COO]- 478.245971 209.2
[M+Na-2H]- 440.206786 202.6
[M]+ 419.23157142 201.8
[M]- 419.23266858 201.8
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.