CID 3061438

3-oxazoline, 2,2-dimethyl-5-(p-(dimethylamino)phenyl)-4-o-tolyl-

Structural Information

Molecular Formula
C20H24N2O
SMILES
CC1=CC=CC=C1C2=NC(OC2C3=CC=C(C=C3)N(C)C)(C)C
InChI
InChI=1S/C20H24N2O/c1-14-8-6-7-9-17(14)18-19(23-20(2,3)21-18)15-10-12-16(13-11-15)22(4)5/h6-13,19H,1-5H3
InChIKey
ZKBSCRTYFAFAQY-UHFFFAOYSA-N
Compound name
4-[2,2-dimethyl-4-(2-methylphenyl)-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

308.18887 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 174.3
[M+Na]+ 331.178088 182.7
[M-H]- 307.181594 185.5
[M+NH4]+ 326.222693 190.9
[M+K]+ 347.152028 180.1
[M+H-H2O]+ 291.186130 165.5
[M+HCOO]- 353.187071 197.0
[M+CH3COO]- 367.202721 213.1
[M+Na-2H]- 329.163536 176.5
[M]+ 308.18832142 177.2
[M]- 308.18941858 177.2
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