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]+ 266.15395 161.2
[M+Na]+ 288.13589 170.5
[M-H]- 264.13939 171.0
[M+NH4]+ 283.18049 179.1
[M+K]+ 304.10983 167.0
[M+H-H2O]+ 248.14393 153.1
[M+HCOO]- 310.14487 183.2
[M+CH3COO]- 324.16052 174.4
[M+Na-2H]- 286.12134 165.4
[M]+ 265.14612 162.5
[M]- 265.14722 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.