CID 165691144

2-{5-[4-(1,3-oxazol-2-yl)phenyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine hydrochloride

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 168.4
[M+Na]+ 327.12164 178.4
[M-H]- 303.12514 175.5
[M+NH4]+ 322.16624 181.3
[M+K]+ 343.09558 172.3
[M+H-H2O]+ 287.12968 159.1
[M+HCOO]- 349.13062 189.8
[M+CH3COO]- 363.14627 179.9
[M+Na-2H]- 325.10709 172.3
[M]+ 304.13187 169.6
[M]- 304.13297 169.6
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.