CID 155971128

2-[5-(2-methoxyphenyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C16H17N3O
SMILES
COC1=CC=CC=C1C2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C16H17N3O/c1-20-15-5-3-2-4-12(15)11-6-7-13-14(10-11)19-16(18-13)8-9-17/h2-7,10H,8-9,17H2,1H3,(H,18,19)
InChIKey
BUFXKEFUIFJLPB-UHFFFAOYSA-N
Compound name
2-[6-(2-methoxyphenyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 161.0
[M+Na]+ 290.126398 170.6
[M-H]- 266.129904 165.1
[M+NH4]+ 285.171003 176.8
[M+K]+ 306.100338 164.4
[M+H-H2O]+ 250.134440 152.5
[M+HCOO]- 312.135381 183.3
[M+CH3COO]- 326.151031 172.8
[M+Na-2H]- 288.111846 166.4
[M]+ 267.13663142 162.0
[M]- 267.13772858 162.0
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.