CID 5279701

Chembl389973

Structural Information

Molecular Formula
C26H36N6O
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCN4CCCC4)CC5=C(C=CC(=N5)C)O
InChI
InChI=1S/C26H36N6O/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/h5-9,21,33H,3-4,10-18H2,1-2H3,(H,28,29)
InChIKey
WVUGWEAHJZJKDW-UHFFFAOYSA-N
Compound name
6-methyl-2-[[4-methyl-2-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

448.29507 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.30235 211.7
[M+Na]+ 471.28429 216.2
[M-H]- 447.28779 217.4
[M+NH4]+ 466.32889 217.0
[M+K]+ 487.25823 207.9
[M+H-H2O]+ 431.29233 198.6
[M+HCOO]- 493.29327 223.0
[M+CH3COO]- 507.30892 217.2
[M+Na-2H]- 469.26974 206.6
[M]+ 448.29452 208.2
[M]- 448.29562 208.2
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.