CID 5279689

2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C20H26N4O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCCCCCO
InChI
InChI=1S/C20H26N4O2/c1-15-10-11-19(26)17(22-15)14-24-18-9-5-4-8-16(18)23-20(24)21-12-6-2-3-7-13-25/h4-5,8-11,25-26H,2-3,6-7,12-14H2,1H3,(H,21,23)
InChIKey
RQIIFYJKXWNXRV-UHFFFAOYSA-N
Compound name
2-[[2-(6-hydroxyhexylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.20557 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 186.4
[M+Na]+ 377.19479 194.2
[M-H]- 353.19829 187.9
[M+NH4]+ 372.23939 196.9
[M+K]+ 393.16873 187.2
[M+H-H2O]+ 337.20283 176.4
[M+HCOO]- 399.20377 205.1
[M+CH3COO]- 413.21942 214.1
[M+Na-2H]- 375.18024 189.5
[M]+ 354.20502 190.1
[M]- 354.20612 190.1
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.