CID 3045593

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

Structural Information

Molecular Formula
C23H27N5O2
SMILES
C1CN(CCN1CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4)CC(=O)N
InChI
InChI=1S/C23H27N5O2/c24-22(30)16-26-12-14-27(15-13-26)17-23-25-19-8-4-5-9-20(19)28(23)11-10-21(29)18-6-2-1-3-7-18/h1-9H,10-17H2,(H2,24,30)
InChIKey
XHDPJMROFKDKLC-UHFFFAOYSA-N
Compound name
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

405.21646 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.22374 198.6
[M+Na]+ 428.20568 202.9
[M-H]- 404.20918 202.7
[M+NH4]+ 423.25028 205.0
[M+K]+ 444.17962 196.2
[M+H-H2O]+ 388.21372 186.0
[M+HCOO]- 450.21466 212.4
[M+CH3COO]- 464.23031 205.2
[M+Na-2H]- 426.19113 197.9
[M]+ 405.21591 196.4
[M]- 405.21701 196.4
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.