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]+ 279.14918 165.5
[M+Na]+ 301.13112 172.9
[M-H]- 277.13462 176.2
[M+NH4]+ 296.17572 180.7
[M+K]+ 317.10506 170.2
[M+H-H2O]+ 261.13916 156.2
[M+HCOO]- 323.14010 190.2
[M+CH3COO]- 337.15575 178.2
[M+Na-2H]- 299.11657 170.0
[M]+ 278.14135 168.0
[M]- 278.14245 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