CID 5279666

2-[[2-(3-imidazol-1-ylpropylamino)-4,6-dimethyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C22H26N6O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NCCCN4C=CN=C4)C)C
InChI
InChI=1S/C22H26N6O/c1-15-11-16(2)21-19(12-15)28(13-18-20(29)6-5-17(3)25-18)22(26-21)24-7-4-9-27-10-8-23-14-27/h5-6,8,10-12,14,29H,4,7,9,13H2,1-3H3,(H,24,26)
InChIKey
WZZPIZJNABISSF-UHFFFAOYSA-N
Compound name
2-[[2-(3-imidazol-1-ylpropylamino)-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.2168 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22408 197.1
[M+Na]+ 413.20602 207.3
[M-H]- 389.20952 202.0
[M+NH4]+ 408.25062 206.0
[M+K]+ 429.17996 199.4
[M+H-H2O]+ 373.21406 185.8
[M+HCOO]- 435.21500 215.6
[M+CH3COO]- 449.23065 206.2
[M+Na-2H]- 411.19147 196.9
[M]+ 390.21625 201.9
[M]- 390.21735 201.9
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.