CID 5279727

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

Structural Information

Molecular Formula
C22H28N6O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(=O)N)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C22H28N6O2/c1-14-4-3-5-18-21(14)26-22(25-16-8-10-27(11-9-16)13-20(23)30)28(18)12-17-19(29)7-6-15(2)24-17/h3-7,16,29H,8-13H2,1-2H3,(H2,23,30)(H,25,26)
InChIKey
TYLDGNTZZYCUHP-UHFFFAOYSA-N
Compound name
2-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.2274 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.23468 200.7
[M+Na]+ 431.21662 207.1
[M-H]- 407.22012 204.9
[M+NH4]+ 426.26122 207.2
[M+K]+ 447.19056 200.0
[M+H-H2O]+ 391.22466 189.2
[M+HCOO]- 453.22560 215.3
[M+CH3COO]- 467.24125 207.7
[M+Na-2H]- 429.20207 199.9
[M]+ 408.22685 198.6
[M]- 408.22795 198.6
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.