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 179.4
[M+Na]+ 351.12164 190.9
[M-H]- 327.12514 181.6
[M+NH4]+ 346.16624 189.0
[M+K]+ 367.09558 181.0
[M+H-H2O]+ 311.12968 162.7
[M+HCOO]- 373.13062 193.6
[M+CH3COO]- 387.14627 187.5
[M+Na-2H]- 349.10709 180.0
[M]+ 328.13187 173.9
[M]- 328.13297 173.9
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.