CID 135906653

1,2,4-triazin-5(2h)-one, 6-(3-pyridinylmethyl)-3-((3-((2-(1-pyrrolidinylmethyl)-1h-benzimidazol-5-yl)oxy)propyl)amino)-

Structural Information

Molecular Formula
C24H28N8O2
SMILES
C1CCN(C1)CC2=NC3=C(N2)C=C(C=C3)OCCCNC4=NN=C(C(=O)N4)CC5=CN=CC=C5
InChI
InChI=1S/C24H28N8O2/c33-23-21(13-17-5-3-8-25-15-17)30-31-24(29-23)26-9-4-12-34-18-6-7-19-20(14-18)28-22(27-19)16-32-10-1-2-11-32/h3,5-8,14-15H,1-2,4,9-13,16H2,(H,27,28)(H2,26,29,31,33)
InChIKey
ZSDCTDPUUSENNG-UHFFFAOYSA-N
Compound name
6-(pyridin-3-ylmethyl)-3-[3-[[2-(pyrrolidin-1-ylmethyl)-3H-benzimidazol-5-yl]oxy]propylamino]-4H-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.23352 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.24080 208.8
[M+Na]+ 483.22274 222.0
[M+NH4]+ 478.26734 212.1
[M+K]+ 499.19668 218.9
[M-H]- 459.22624 212.0
[M+Na-2H]- 481.20819 216.2
[M]+ 460.23297 211.2
[M]- 460.23407 211.2
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.