CID 3045573

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

Structural Information

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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.25505 207.2
[M+Na]+ 456.23699 210.7
[M-H]- 432.24049 212.8
[M+NH4]+ 451.28159 213.3
[M+K]+ 472.21093 205.2
[M+H-H2O]+ 416.24503 194.0
[M+HCOO]- 478.24597 221.4
[M+CH3COO]- 492.26162 234.7
[M+Na-2H]- 454.22244 205.8
[M]+ 433.24722 207.7
[M]- 433.24832 207.7
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.