CID 214420

Oxazole, 2-(((2-(dimethylamino)ethyl)amino)methyl)-4,5-diphenyl-, dihydrochloride

Structural Information

Molecular Formula
C20H23N3O
SMILES
CN(C)CCNCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H23N3O/c1-23(2)14-13-21-15-18-22-19(16-9-5-3-6-10-16)20(24-18)17-11-7-4-8-12-17/h3-12,21H,13-15H2,1-2H3
InChIKey
IPXYKEDXJQXVAQ-UHFFFAOYSA-N
Compound name
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.1841 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 178.4
[M+Na]+ 344.17332 183.9
[M-H]- 320.17682 188.6
[M+NH4]+ 339.21792 191.4
[M+K]+ 360.14726 180.7
[M+H-H2O]+ 304.18136 168.2
[M+HCOO]- 366.18230 203.4
[M+CH3COO]- 380.19795 215.8
[M+Na-2H]- 342.15877 182.4
[M]+ 321.18355 180.9
[M]- 321.18465 180.9
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

No patent data available for this compound.