CID 165946171

2-(4-{2-[3-(1,3-oxazol-2-yl)phenyl]ethynyl}-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C20H16N4O
SMILES
C1=CC(=CC(=C1)C2=NC=CO2)C#CC3=C4C(=CC=C3)NC(=N4)CCN
InChI
InChI=1S/C20H16N4O/c21-10-9-18-23-17-6-2-4-15(19(17)24-18)8-7-14-3-1-5-16(13-14)20-22-11-12-25-20/h1-6,11-13H,9-10,21H2,(H,23,24)
InChIKey
DLTXDFWGKXZMRR-UHFFFAOYSA-N
Compound name
2-[4-[2-[3-(1,3-oxazol-2-yl)phenyl]ethynyl]-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13970 182.1
[M+Na]+ 351.12164 196.4
[M+NH4]+ 346.16624 185.7
[M+K]+ 367.09558 188.5
[M-H]- 327.12514 179.5
[M+Na-2H]- 349.10709 186.4
[M]+ 328.13187 182.6
[M]- 328.13297 182.6
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.