CID 44604451

226387-12-8

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC(C)(C)[C@H]1COC(=N1)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H18N2O/c1-16(2,3)14-10-19-15(18-14)13-9-8-11-6-4-5-7-12(11)17-13/h4-9,14H,10H2,1-3H3/t14-/m1/s1
InChIKey
ZECIAWBAXVMXKI-CQSZACIVSA-N
Compound name
(4S)-4-tert-butyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.1419 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.1
[M+Na]+ 277.13112 173.7
[M+NH4]+ 272.17572 167.9
[M+K]+ 293.10506 168.5
[M-H]- 253.13462 163.9
[M+Na-2H]- 275.11657 166.6
[M]+ 254.14135 162.8
[M]- 254.14245 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe