CID 3045575

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

Structural Information

Molecular Formula
C29H39N5O2
SMILES
CC(C)N(C(C)C)C(=O)CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H39N5O2/c1-22(2)34(23(3)4)29(36)21-32-18-16-31(17-19-32)20-28-30-25-12-8-9-13-26(25)33(28)15-14-27(35)24-10-6-5-7-11-24/h5-13,22-23H,14-21H2,1-4H3
InChIKey
UIQOCAJPEPPEEC-UHFFFAOYSA-N
Compound name
2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.31036 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.31764 219.6
[M+Na]+ 512.29958 230.1
[M+NH4]+ 507.34418 223.8
[M+K]+ 528.27352 225.9
[M-H]- 488.30308 223.0
[M+Na-2H]- 510.28503 224.7
[M]+ 489.30981 221.7
[M]- 489.31091 221.7
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.