CID 3061436

3-oxazoline, 4-(o-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=C3Cl)C
InChI
InChI=1S/C19H21ClN2O/c1-19(2)21-17(15-7-5-6-8-16(15)20)18(23-19)13-9-11-14(12-10-13)22(3)4/h5-12,18H,1-4H3
InChIKey
XYMKMRDSRQKFAR-UHFFFAOYSA-N
Compound name
4-[4-(2-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

5
Patents

328.13425 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14153 176.8
[M+Na]+ 351.12347 192.8
[M+NH4]+ 346.16807 187.4
[M+K]+ 367.09741 184.1
[M-H]- 327.12697 185.2
[M+Na-2H]- 349.10892 187.7
[M]+ 328.13370 182.2
[M]- 328.13480 182.2
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