CID 57990

Brn 0869542

Structural Information

Molecular Formula
C29H30N4O2
SMILES
C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CO)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H30N4O2/c30-21-29(23-9-3-1-4-10-23,24-11-5-2-6-12-24)17-20-31-18-15-25(16-19-31)33-27-14-8-7-13-26(27)32(22-34)28(33)35/h1-14,25,34H,15-20,22H2
InChIKey
HLBZVDQDHZUVOU-UHFFFAOYSA-N
Compound name
4-[4-[3-(hydroxymethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2,2-diphenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.23688 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.24416 220.3
[M+Na]+ 489.22610 234.4
[M+NH4]+ 484.27070 223.1
[M+K]+ 505.20004 223.6
[M-H]- 465.22960 218.6
[M+Na-2H]- 487.21155 225.7
[M]+ 466.23633 221.1
[M]- 466.23743 221.1
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.