CID 5279729

2-[[2-[[1-[2-hydroxy-4-(1,2,4-triazol-4-yl)butyl]-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C26H34N8O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(CCN4C=NN=C4)O)CC5=C(C=CC(=N5)C)O
InChI
InChI=1S/C26H34N8O2/c1-18-4-3-5-23-25(18)31-26(34(23)15-22-24(36)7-6-19(2)29-22)30-20-8-11-32(12-9-20)14-21(35)10-13-33-16-27-28-17-33/h3-7,16-17,20-21,35-36H,8-15H2,1-2H3,(H,30,31)
InChIKey
NWOMEHPSMVSYMT-UHFFFAOYSA-N
Compound name
2-[[2-[[1-[2-hydroxy-4-(1,2,4-triazol-4-yl)butyl]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

490.2805 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.28778 217.7
[M+Na]+ 513.26972 222.9
[M-H]- 489.27322 221.0
[M+NH4]+ 508.31432 218.0
[M+K]+ 529.24366 214.5
[M+H-H2O]+ 473.27776 204.4
[M+HCOO]- 535.27870 226.8
[M+CH3COO]- 549.29435 222.0
[M+Na-2H]- 511.25517 213.9
[M]+ 490.27995 217.1
[M]- 490.28105 217.1
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.