CID 165588552

2-{4-[2-(2-aminoethyl)-1h-1,3-benzodiazol-5-yl]phenyl}-1,3-oxazole-4-carboxamide dihydrochloride

Structural Information

Molecular Formula
C19H17N5O2
SMILES
C1=CC(=CC=C1C2=CC3=C(C=C2)N=C(N3)CCN)C4=NC(=CO4)C(=O)N
InChI
InChI=1S/C19H17N5O2/c20-8-7-17-22-14-6-5-13(9-15(14)23-17)11-1-3-12(4-2-11)19-24-16(10-26-19)18(21)25/h1-6,9-10H,7-8,20H2,(H2,21,25)(H,22,23)
InChIKey
OBDQQUGAKGWXDF-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-aminoethyl)-3H-benzimidazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1382 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14548 181.2
[M+Na]+ 370.12742 194.1
[M+NH4]+ 365.17202 187.1
[M+K]+ 386.10136 192.3
[M-H]- 346.13092 186.9
[M+Na-2H]- 368.11287 187.9
[M]+ 347.13765 184.5
[M]- 347.13875 184.5
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.