CID 165588549

2731010-18-5

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

0
Patents

256.13242 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 157.1
[M+Na]+ 279.12164 170.3
[M+NH4]+ 274.16624 164.6
[M+K]+ 295.09558 167.4
[M-H]- 255.12514 161.1
[M+Na-2H]- 277.10709 163.8
[M]+ 256.13187 160.0
[M]- 256.13297 160.0
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.