CID 28303587

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

Structural Information

Molecular Formula
C16H17N3
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C16H17N3/c17-11-10-16-18-14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13/h1-9H,10-12,17H2
InChIKey
LLUUGKYIMWBJGL-UHFFFAOYSA-N
Compound name
2-(1-benzylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 157.3
[M+Na]+ 274.13146 166.5
[M-H]- 250.13496 162.2
[M+NH4]+ 269.17606 174.2
[M+K]+ 290.10540 160.5
[M+H-H2O]+ 234.13950 148.3
[M+HCOO]- 296.14044 180.8
[M+CH3COO]- 310.15609 169.5
[M+Na-2H]- 272.11691 163.7
[M]+ 251.14169 158.2
[M]- 251.14279 158.2
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.