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]+ 319.21285 176.6
[M+Na]+ 341.19479 183.3
[M-H]- 317.19829 179.0
[M+NH4]+ 336.23939 187.4
[M+K]+ 357.16873 182.2
[M+H-H2O]+ 301.20283 165.4
[M+HCOO]- 363.20377 190.9
[M+CH3COO]- 377.21942 185.4
[M+Na-2H]- 339.18024 177.5
[M]+ 318.20502 174.9
[M]- 318.20612 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.