CID 165591086

2-{3-[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(=C1)C2=NC(=CO2)C(=O)N)C3=CC4=C(C=C3)N=C(N4)CCN
InChI
InChI=1S/C19H17N5O2/c20-7-6-17-22-14-5-4-12(9-15(14)23-17)11-2-1-3-13(8-11)19-24-16(10-26-19)18(21)25/h1-5,8-10H,6-7,20H2,(H2,21,25)(H,22,23)
InChIKey
FMWRZLASMVUZCT-UHFFFAOYSA-N
Compound name
2-[3-[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 179.6
[M+Na]+ 370.12742 188.6
[M-H]- 346.13092 186.8
[M+NH4]+ 365.17202 190.1
[M+K]+ 386.10136 182.9
[M+H-H2O]+ 330.13546 170.2
[M+HCOO]- 392.13640 200.4
[M+CH3COO]- 406.15205 189.9
[M+Na-2H]- 368.11287 181.2
[M]+ 347.13765 180.2
[M]- 347.13875 180.2
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.