CID 155973724

2-[4-(3-chlorophenyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C15H14ClN3
SMILES
C1=CC(=CC(=C1)Cl)C2=C3C(=CC=C2)NC(=N3)CCN
InChI
InChI=1S/C15H14ClN3/c16-11-4-1-3-10(9-11)12-5-2-6-13-15(12)19-14(18-13)7-8-17/h1-6,9H,7-8,17H2,(H,18,19)
InChIKey
JWQSUNQNBUEKNU-UHFFFAOYSA-N
Compound name
2-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.094896 160.7
[M+Na]+ 294.076838 171.6
[M-H]- 270.080344 164.5
[M+NH4]+ 289.121443 177.2
[M+K]+ 310.050778 163.4
[M+H-H2O]+ 254.084880 152.8
[M+HCOO]- 316.085821 178.4
[M+CH3COO]- 330.101471 172.6
[M+Na-2H]- 292.062286 165.9
[M]+ 271.08707142 162.0
[M]- 271.08816858 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.