CID 214410

2-((butylamino)methyl)-4,5-diphenyloxazole monohydrochloride

Structural Information

Molecular Formula
C20H22N2O
SMILES
CCCCNCC1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H22N2O/c1-2-3-14-21-15-18-22-19(16-10-6-4-7-11-16)20(23-18)17-12-8-5-9-13-17/h4-13,21H,2-3,14-15H2,1H3
InChIKey
VMOMRCBLLQRGKT-UHFFFAOYSA-N
Compound name
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.17322 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 174.0
[M+Na]+ 329.16244 180.4
[M-H]- 305.16594 182.8
[M+NH4]+ 324.20704 187.4
[M+K]+ 345.13638 175.8
[M+H-H2O]+ 289.17048 164.4
[M+HCOO]- 351.17142 197.5
[M+CH3COO]- 365.18707 185.2
[M+Na-2H]- 327.14789 178.2
[M]+ 306.17267 175.9
[M]- 306.17377 175.9
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

patents stripe