CID 214418

2-((diethylamino)methyl)-4,5-diphenyloxazole monohydrochloride

Structural Information

Molecular Formula
C20H22N2O
SMILES
CCN(CC)CC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O/c1-3-22(4-2)15-18-21-19(16-11-7-5-8-12-16)20(23-18)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKey
LWDRXQWOFAEZBF-UHFFFAOYSA-N
Compound name
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.17322 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 174.9
[M+Na]+ 329.16244 181.3
[M-H]- 305.16594 185.1
[M+NH4]+ 324.20704 188.8
[M+K]+ 345.13638 178.1
[M+H-H2O]+ 289.17048 165.1
[M+HCOO]- 351.17142 198.8
[M+CH3COO]- 365.18707 186.6
[M+Na-2H]- 327.14789 178.2
[M]+ 306.17267 178.0
[M]- 306.17377 178.0
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