CID 3061437

3-oxazoline, 4-(m-chlorophenyl)-2,2-dimethyl-5-(p-(dimethylamino)phenyl)-

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
CC1(N=C(C(O1)C2=CC=C(C=C2)N(C)C)C3=CC(=CC=C3)Cl)C
InChI
InChI=1S/C19H21ClN2O/c1-19(2)21-17(14-6-5-7-15(20)12-14)18(23-19)13-8-10-16(11-9-13)22(3)4/h5-12,18H,1-4H3
InChIKey
WFLVCMWNHQFXAT-UHFFFAOYSA-N
Compound name
4-[4-(3-chlorophenyl)-2,2-dimethyl-5H-1,3-oxazol-5-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

328.13425 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.141526 178.0
[M+Na]+ 351.123468 187.5
[M-H]- 327.126974 188.9
[M+NH4]+ 346.168073 194.6
[M+K]+ 367.097408 183.4
[M+H-H2O]+ 311.131510 169.6
[M+HCOO]- 373.132451 196.3
[M+CH3COO]- 387.148101 190.4
[M+Na-2H]- 349.108916 180.0
[M]+ 328.13370142 182.8
[M]- 328.13479858 182.8
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