CID 165588549

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

Structural Information

Molecular Formula
C14H16N4O
SMILES
C1=CC=C2C(=C1)N=C(N2CCC3=NC=CO3)CCN
InChI
InChI=1S/C14H16N4O/c15-7-5-13-17-11-3-1-2-4-12(11)18(13)9-6-14-16-8-10-19-14/h1-4,8,10H,5-7,9,15H2
InChIKey
LUJZAKQRKBLPDL-UHFFFAOYSA-N
Compound name
2-[1-[2-(1,3-oxazol-2-yl)ethyl]benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

256.13242 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.139696 156.5
[M+Na]+ 279.121638 166.5
[M-H]- 255.125144 161.3
[M+NH4]+ 274.166243 172.4
[M+K]+ 295.095578 162.9
[M+H-H2O]+ 239.129680 147.7
[M+HCOO]- 301.130621 179.5
[M+CH3COO]- 315.146271 169.1
[M+Na-2H]- 277.107086 161.6
[M]+ 256.13187142 160.2
[M]- 256.13296858 160.2
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.