CID 5279672

2-[[2-(3-methoxypropylamino)-4,6-dimethyl-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=C2NCCCOC)C)C
InChI
InChI=1S/C20H26N4O2/c1-13-10-14(2)19-17(11-13)24(20(23-19)21-8-5-9-26-4)12-16-18(25)7-6-15(3)22-16/h6-7,10-11,25H,5,8-9,12H2,1-4H3,(H,21,23)
InChIKey
VYPTZECTZVARCZ-UHFFFAOYSA-N
Compound name
2-[[2-(3-methoxypropylamino)-4,6-dimethylbenzimidazol-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 188.7
[M+Na]+ 377.19479 198.7
[M-H]- 353.19829 192.2
[M+NH4]+ 372.23939 200.4
[M+K]+ 393.16873 192.5
[M+H-H2O]+ 337.20283 178.9
[M+HCOO]- 399.20377 208.7
[M+CH3COO]- 413.21942 218.9
[M+Na-2H]- 375.18024 190.5
[M]+ 354.20502 194.9
[M]- 354.20612 194.9
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.