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]+ 307.180496 174.9
[M+Na]+ 329.162438 181.3
[M-H]- 305.165944 185.1
[M+NH4]+ 324.207043 188.8
[M+K]+ 345.136378 178.1
[M+H-H2O]+ 289.170480 165.1
[M+HCOO]- 351.171421 198.8
[M+CH3COO]- 365.187071 186.6
[M+Na-2H]- 327.147886 178.2
[M]+ 306.17267142 178.0
[M]- 306.17376858 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