CID 65665

Imoxiterol

Structural Information

Molecular Formula
C20H25N3O3
SMILES
CC(CCN1C=NC2=CC=CC=C21)NCC(C3=CC(=C(C=C3)O)OC)O
InChI
InChI=1S/C20H25N3O3/c1-14(9-10-23-13-22-16-5-3-4-6-17(16)23)21-12-19(25)15-7-8-18(24)20(11-15)26-2/h3-8,11,13-14,19,21,24-25H,9-10,12H2,1-2H3
InChIKey
NKKPVWPMPWLEMY-UHFFFAOYSA-N
Compound name
4-[2-[4-(benzimidazol-1-yl)butan-2-ylamino]-1-hydroxyethyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

169
Patents

355.1896 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.19688 184.9
[M+Na]+ 378.17882 190.9
[M-H]- 354.18232 187.6
[M+NH4]+ 373.22342 196.1
[M+K]+ 394.15276 186.0
[M+H-H2O]+ 338.18686 175.7
[M+HCOO]- 400.18780 203.2
[M+CH3COO]- 414.20345 214.0
[M+Na-2H]- 376.16427 186.7
[M]+ 355.18905 187.9
[M]- 355.19015 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe