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 149.6
[M+Na]+ 249.09983 159.7
[M-H]- 225.10333 155.7
[M+NH4]+ 244.14443 168.7
[M+K]+ 265.07377 156.8
[M+H-H2O]+ 209.10787 141.5
[M+HCOO]- 271.10881 169.9
[M+CH3COO]- 285.12446 162.9
[M+Na-2H]- 247.08528 157.0
[M]+ 226.11006 150.9
[M]- 226.11116 150.9
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