CID 71956

60960-29-4

Structural Information

Molecular Formula
C26H33N5O2
SMILES
CC(C)NC(=O)CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H33N5O2/c1-20(2)27-26(33)19-30-16-14-29(15-17-30)18-25-28-22-10-6-7-11-23(22)31(25)13-12-24(32)21-8-4-3-5-9-21/h3-11,20H,12-19H2,1-2H3,(H,27,33)
InChIKey
GPFJNGJUUKBSLS-UHFFFAOYSA-N
Compound name
2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

447.26343 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.27071 211.0
[M+Na]+ 470.25265 213.6
[M-H]- 446.25615 215.1
[M+NH4]+ 465.29725 215.8
[M+K]+ 486.22659 207.2
[M+H-H2O]+ 430.26069 198.1
[M+HCOO]- 492.26163 223.4
[M+CH3COO]- 506.27728 235.3
[M+Na-2H]- 468.23810 208.8
[M]+ 447.26288 210.0
[M]- 447.26398 210.0
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

patents stripe