CID 3045565

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

Structural Information

Molecular Formula
C25H31N5O2
SMILES
CCNC(=O)CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H31N5O2/c1-2-26-25(32)19-29-16-14-28(15-17-29)18-24-27-21-10-6-7-11-22(21)30(24)13-12-23(31)20-8-4-3-5-9-20/h3-11H,2,12-19H2,1H3,(H,26,32)
InChIKey
GEQUSESCIQRLKJ-UHFFFAOYSA-N
Compound name
N-ethyl-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

433.24777 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.25505 207.0
[M+Na]+ 456.23699 210.5
[M-H]- 432.24049 211.2
[M+NH4]+ 451.28159 212.5
[M+K]+ 472.21093 203.6
[M+H-H2O]+ 416.24503 193.9
[M+HCOO]- 478.24597 220.7
[M+CH3COO]- 492.26162 213.0
[M+Na-2H]- 454.22244 206.3
[M]+ 433.24722 206.3
[M]- 433.24832 206.3
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.