CID 155973565

2-(4-phenyl-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C15H15N3
SMILES
C1=CC=C(C=C1)C2=C3C(=CC=C2)NC(=N3)CCN
InChI
InChI=1S/C15H15N3/c16-10-9-14-17-13-8-4-7-12(15(13)18-14)11-5-2-1-3-6-11/h1-8H,9-10,16H2,(H,17,18)
InChIKey
XGBCDOPIQYPSAK-UHFFFAOYSA-N
Compound name
2-(4-phenyl-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 152.6
[M+Na]+ 260.11582 161.9
[M-H]- 236.11932 156.4
[M+NH4]+ 255.16042 169.4
[M+K]+ 276.08976 155.2
[M+H-H2O]+ 220.12386 144.2
[M+HCOO]- 282.12480 175.1
[M+CH3COO]- 296.14045 164.7
[M+Na-2H]- 258.10127 159.3
[M]+ 237.12605 151.5
[M]- 237.12715 151.5
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.