CID 214406

4,5-diphenyl-2-((propylamino)methyl)oxazole monohydrochloride

Structural Information

Molecular Formula
C19H20N2O
SMILES
CCCNCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O/c1-2-13-20-14-17-21-18(15-9-5-3-6-10-15)19(22-17)16-11-7-4-8-12-16/h3-12,20H,2,13-14H2,1H3
InChIKey
JYFQVKAJKCBADJ-UHFFFAOYSA-N
Compound name
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.15756 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 169.5
[M+Na]+ 315.14678 176.3
[M-H]- 291.15028 178.4
[M+NH4]+ 310.19138 183.4
[M+K]+ 331.12072 171.9
[M+H-H2O]+ 275.15482 160.1
[M+HCOO]- 337.15576 193.3
[M+CH3COO]- 351.17141 181.1
[M+Na-2H]- 313.13223 174.2
[M]+ 292.15701 171.0
[M]- 292.15811 171.0
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

patents stripe