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

5
Patents

308.18887 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 174.3
[M+Na]+ 331.17809 182.7
[M-H]- 307.18159 185.5
[M+NH4]+ 326.22269 190.9
[M+K]+ 347.15203 180.1
[M+H-H2O]+ 291.18613 165.5
[M+HCOO]- 353.18707 197.0
[M+CH3COO]- 367.20272 213.1
[M+Na-2H]- 329.16354 176.5
[M]+ 308.18832 177.2
[M]- 308.18942 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