CID 14356145

6-hydroxyemedastine

Structural Information

Molecular Formula
C17H26N4O2
SMILES
CCOCCN1C2=C(C=CC(=C2)O)N=C1N3CCCN(CC3)C
InChI
InChI=1S/C17H26N4O2/c1-3-23-12-11-21-16-13-14(22)5-6-15(16)18-17(21)20-8-4-7-19(2)9-10-20/h5-6,13,22H,3-4,7-12H2,1-2H3
InChIKey
YDYQGSLFCJVMNN-UHFFFAOYSA-N
Compound name
3-(2-ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.20557 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.212846 176.6
[M+Na]+ 341.194788 183.3
[M-H]- 317.198294 179.0
[M+NH4]+ 336.239393 187.4
[M+K]+ 357.168728 182.2
[M+H-H2O]+ 301.202830 165.4
[M+HCOO]- 363.203771 190.9
[M+CH3COO]- 377.219421 185.4
[M+Na-2H]- 339.180236 177.5
[M]+ 318.20502142 174.9
[M]- 318.20611858 174.9
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.