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]+ 348.145476 179.6
[M+Na]+ 370.127418 188.6
[M-H]- 346.130924 186.8
[M+NH4]+ 365.172023 190.1
[M+K]+ 386.101358 182.9
[M+H-H2O]+ 330.135460 170.2
[M+HCOO]- 392.136401 200.4
[M+CH3COO]- 406.152051 189.9
[M+Na-2H]- 368.112866 181.2
[M]+ 347.13765142 180.2
[M]- 347.13874858 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.