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]+ 420.23940 202.8
[M+Na]+ 442.22134 206.8
[M-H]- 418.22484 207.2
[M+NH4]+ 437.26594 208.9
[M+K]+ 458.19528 200.1
[M+H-H2O]+ 402.22938 190.0
[M+HCOO]- 464.23032 216.9
[M+CH3COO]- 478.24597 209.2
[M+Na-2H]- 440.20679 202.6
[M]+ 419.23157 201.8
[M]- 419.23267 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.