CID 6481591

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

Structural Information

Molecular Formula
C25H34N6O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NC4CCN(CC4)CCCC(=O)N)C)C
InChI
InChI=1S/C25H34N6O2/c1-16-13-17(2)24-21(14-16)31(15-20-22(32)7-6-18(3)27-20)25(29-24)28-19-8-11-30(12-9-19)10-4-5-23(26)33/h6-7,13-14,19,32H,4-5,8-12,15H2,1-3H3,(H2,26,33)(H,28,29)
InChIKey
WTUHWKKKIYBJBZ-UHFFFAOYSA-N
Compound name
4-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]butanamide
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 214.8
[M+Na]+ 473.26354 220.6
[M-H]- 449.26704 218.7
[M+NH4]+ 468.30814 219.7
[M+K]+ 489.23748 213.0
[M+H-H2O]+ 433.27158 202.9
[M+HCOO]- 495.27252 228.2
[M+CH3COO]- 509.28817 239.9
[M+Na-2H]- 471.24899 211.7
[M]+ 450.27377 214.0
[M]- 450.27487 214.0
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.