CID 5279667

2-[[2-[3-(1h-imidazol-4-yl)propylamino]-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=C2NCCCC4=CN=CN4)C)C
InChI
InChI=1S/C22H26N6O/c1-14-9-15(2)21-19(10-14)28(12-18-20(29)7-6-16(3)26-18)22(27-21)24-8-4-5-17-11-23-13-25-17/h6-7,9-11,13,29H,4-5,8,12H2,1-3H3,(H,23,25)(H,24,27)
InChIKey
SCOKOGFOQCXUMZ-UHFFFAOYSA-N
Compound name
2-[[2-[3-(1H-imidazol-5-yl)propylamino]-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

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22408 196.8
[M+Na]+ 413.20602 206.6
[M-H]- 389.20952 200.5
[M+NH4]+ 408.25062 205.1
[M+K]+ 429.17996 198.0
[M+H-H2O]+ 373.21406 186.0
[M+HCOO]- 435.21500 214.0
[M+CH3COO]- 449.23065 205.3
[M+Na-2H]- 411.19147 196.4
[M]+ 390.21625 200.0
[M]- 390.21735 200.0
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.