CID 165691144

2731010-48-1

Structural Information

Molecular Formula
C18H16N4O
SMILES
C1=CC(=CC=C1C2=CC3=C(C=C2)N=C(N3)CCN)C4=NC=CO4
InChI
InChI=1S/C18H16N4O/c19-8-7-17-21-15-6-5-14(11-16(15)22-17)12-1-3-13(4-2-12)18-20-9-10-23-18/h1-6,9-11H,7-8,19H2,(H,21,22)
InChIKey
ABHXSXPJLKNHTR-UHFFFAOYSA-N
Compound name
2-[6-[4-(1,3-oxazol-2-yl)phenyl]-1H-benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.13242 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 170.2
[M+Na]+ 327.12164 185.4
[M+NH4]+ 322.16624 177.9
[M+K]+ 343.09558 181.6
[M-H]- 303.12514 176.6
[M+Na-2H]- 325.10709 179.0
[M]+ 304.13187 174.2
[M]- 304.13297 174.2
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.