CID 214416

Oxazole, 2-((dimethylamino)methyl)-4,5-diphenyl-, monohydrochloride

Structural Information

Molecular Formula
C18H18N2O
SMILES
CN(C)CC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O/c1-20(2)13-16-19-17(14-9-5-3-6-10-14)18(21-16)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKey
PLAIIJKKPAHTTQ-UHFFFAOYSA-N
Compound name
1-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.1419 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.5
[M+Na]+ 301.131118 172.9
[M-H]- 277.134624 176.2
[M+NH4]+ 296.175723 180.7
[M+K]+ 317.105058 170.2
[M+H-H2O]+ 261.139160 156.2
[M+HCOO]- 323.140101 190.2
[M+CH3COO]- 337.155751 178.2
[M+Na-2H]- 299.116566 170.0
[M]+ 278.14135142 168.0
[M]- 278.14244858 168.0
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