CID 82487315

2-[1-(3-methoxyphenyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C16H17N3O
SMILES
COC1=CC=CC(=C1)N2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C16H17N3O/c1-20-13-6-4-5-12(11-13)19-15-8-3-2-7-14(15)18-16(19)9-10-17/h2-8,11H,9-10,17H2,1H3
InChIKey
WLYLGCKKRRWZJZ-UHFFFAOYSA-N
Compound name
2-[1-(3-methoxyphenyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

267.13718 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 161.1
[M+Na]+ 290.126398 171.1
[M-H]- 266.129904 166.5
[M+NH4]+ 285.171003 177.6
[M+K]+ 306.100338 165.7
[M+H-H2O]+ 250.134440 152.2
[M+HCOO]- 312.135381 184.8
[M+CH3COO]- 326.151031 173.6
[M+Na-2H]- 288.111846 166.8
[M]+ 267.13663142 163.9
[M]- 267.13772858 163.9
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.