CID 5279714

1-piperidinepentanamide, 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4-methyl-1h-benzimidazol-2-yl]amino]-

Structural Information

Molecular Formula
C25H34N6O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCCCC(=O)N)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C25H34N6O2/c1-17-6-5-7-21-24(17)29-25(31(21)16-20-22(32)10-9-18(2)27-20)28-19-11-14-30(15-12-19)13-4-3-8-23(26)33/h5-7,9-10,19,32H,3-4,8,11-16H2,1-2H3,(H2,26,33)(H,28,29)
InChIKey
FONXGLIANVDXBA-UHFFFAOYSA-N
Compound name
5-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.27432 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.28160 212.9
[M+Na]+ 473.26354 217.8
[M-H]- 449.26704 216.5
[M+NH4]+ 468.30814 217.6
[M+K]+ 489.23748 210.2
[M+H-H2O]+ 433.27158 200.8
[M+HCOO]- 495.27252 226.5
[M+CH3COO]- 509.28817 218.6
[M+Na-2H]- 471.24899 210.7
[M]+ 450.27377 211.7
[M]- 450.27487 211.7
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.