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

1
Patents

328.13242 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.139696 179.4
[M+Na]+ 351.121638 190.9
[M-H]- 327.125144 181.6
[M+NH4]+ 346.166243 189.0
[M+K]+ 367.095578 181.0
[M+H-H2O]+ 311.129680 162.7
[M+HCOO]- 373.130621 193.6
[M+CH3COO]- 387.146271 187.5
[M+Na-2H]- 349.107086 180.0
[M]+ 328.13187142 173.9
[M]- 328.13296858 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.