CID 214402

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

Structural Information

Molecular Formula
C18H18N2O
SMILES
CCNCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O/c1-2-19-13-16-20-17(14-9-5-3-6-10-14)18(21-16)15-11-7-4-8-12-15/h3-12,19H,2,13H2,1H3
InChIKey
IOBWJQQGGLXJRO-UHFFFAOYSA-N
Compound name
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

278.1419 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 164.9
[M+Na]+ 301.13112 172.2
[M-H]- 277.13462 174.1
[M+NH4]+ 296.17572 179.4
[M+K]+ 317.10506 168.0
[M+H-H2O]+ 261.13916 155.7
[M+HCOO]- 323.14010 189.1
[M+CH3COO]- 337.15575 177.0
[M+Na-2H]- 299.11657 170.2
[M]+ 278.14135 166.1
[M]- 278.14245 166.1
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