CID 688301

4,4-dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline

Structural Information

Molecular Formula
C18H19NO
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2C3=NC(CO3)(C)C
InChI
InChI=1S/C18H19NO/c1-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17-19-18(2,3)12-20-17/h4-11H,12H2,1-3H3
InChIKey
JUNZDJNCZJUDRU-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

265.14667 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.153946 161.2
[M+Na]+ 288.135888 170.5
[M-H]- 264.139394 171.0
[M+NH4]+ 283.180493 179.1
[M+K]+ 304.109828 167.0
[M+H-H2O]+ 248.143930 153.1
[M+HCOO]- 310.144871 183.2
[M+CH3COO]- 324.160521 174.4
[M+Na-2H]- 286.121336 165.4
[M]+ 265.14612142 162.5
[M]- 265.14721858 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe