CID 165589846

2-(5-benzyl-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C16H17N3
SMILES
C1=CC=C(C=C1)CC2=CC3=C(C=C2)N=C(N3)CCN
InChI
InChI=1S/C16H17N3/c17-9-8-16-18-14-7-6-13(11-15(14)19-16)10-12-4-2-1-3-5-12/h1-7,11H,8-10,17H2,(H,18,19)
InChIKey
LIKXZGUGKLJKSK-UHFFFAOYSA-N
Compound name
2-(6-benzyl-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 157.1
[M+Na]+ 274.131458 166.0
[M-H]- 250.134964 160.7
[M+NH4]+ 269.176063 173.3
[M+K]+ 290.105398 159.0
[M+H-H2O]+ 234.139500 148.5
[M+HCOO]- 296.140441 179.2
[M+CH3COO]- 310.156091 168.8
[M+Na-2H]- 272.116906 163.2
[M]+ 251.14169142 156.3
[M]- 251.14278858 156.3
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.