CID 5279698

2-[[2-[2-(4-fluorophenyl)ethylamino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C22H21FN4O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCC4=CC=C(C=C4)F
InChI
InChI=1S/C22H21FN4O/c1-15-6-11-21(28)19(25-15)14-27-20-5-3-2-4-18(20)26-22(27)24-13-12-16-7-9-17(23)10-8-16/h2-11,28H,12-14H2,1H3,(H,24,26)
InChIKey
VTCJTFMYQVLVIO-UHFFFAOYSA-N
Compound name
2-[[2-[2-(4-fluorophenyl)ethylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.16995 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17723 190.6
[M+Na]+ 399.15917 200.4
[M-H]- 375.16267 195.7
[M+NH4]+ 394.20377 200.5
[M+K]+ 415.13311 191.8
[M+H-H2O]+ 359.16721 178.6
[M+HCOO]- 421.16815 210.0
[M+CH3COO]- 435.18380 200.0
[M+Na-2H]- 397.14462 193.8
[M]+ 376.16940 192.2
[M]- 376.17050 192.2
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.