CID 5279709

2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C26H34N6O
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCN4CC=CC4)CC5=C(C=CC(=N5)C)O
InChI
InChI=1S/C26H34N6O/c1-19-6-5-7-23-25(19)29-26(32(23)18-22-24(33)9-8-20(2)27-22)28-21-10-14-31(15-11-21)17-16-30-12-3-4-13-30/h3-9,21,33H,10-18H2,1-2H3,(H,28,29)
InChIKey
KYOKYABDMVSYSY-UHFFFAOYSA-N
Compound name
2-[[2-[[1-[2-(2,5-dihydropyrrol-1-yl)ethyl]piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.27942 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.28670 210.6
[M+Na]+ 469.26864 216.2
[M-H]- 445.27214 216.8
[M+NH4]+ 464.31324 216.2
[M+K]+ 485.24258 207.7
[M+H-H2O]+ 429.27668 197.6
[M+HCOO]- 491.27762 223.3
[M+CH3COO]- 505.29327 216.7
[M+Na-2H]- 467.25409 206.6
[M]+ 446.27887 208.6
[M]- 446.27997 208.6
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.