CID 3061439

3-oxazoline, 2,2-dimethyl-5-(4-(dimethylamino)-2,6-dimethylphenyl)-4-phenyl-

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC1=CC(=CC(=C1N(C)C)C)C2C(=NC(O2)(C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O/c1-14-12-17(13-15(2)19(14)23(5)6)20-18(22-21(3,4)24-20)16-10-8-7-9-11-16/h7-13,20H,1-6H3
InChIKey
AQXYJUJCAAADLF-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-4-phenyl-5H-1,3-oxazol-5-yl)-N,N,2,6-tetramethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.2045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 178.8
[M+Na]+ 345.19372 194.0
[M+NH4]+ 340.23832 188.8
[M+K]+ 361.16766 186.0
[M-H]- 321.19722 187.2
[M+Na-2H]- 343.17917 189.0
[M]+ 322.20395 183.8
[M]- 322.20505 183.8
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