CID 13774178

2-(4,4-dimethyl-4,5-dihydro-2-oxazolyl)quinoline

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1(COC(=N1)C2=NC3=CC=CC=C3C=C2)C
InChI
InChI=1S/C14H14N2O/c1-14(2)9-17-13(16-14)12-8-7-10-5-3-4-6-11(10)15-12/h3-8H,9H2,1-2H3
InChIKey
QCVNRITUPLGEMZ-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-quinolin-2-yl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

226.11061 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 149.7
[M+Na]+ 249.09983 165.3
[M+NH4]+ 244.14443 160.5
[M+K]+ 265.07377 157.5
[M-H]- 225.10333 155.2
[M+Na-2H]- 247.08528 159.3
[M]+ 226.11006 153.9
[M]- 226.11116 153.9
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