CID 44604358

(s)-2-(4,5-dihydro-4-isopropyl-2-oxazolyl)quinoline

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC(C)[C@H]1COC(=N1)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C15H16N2O/c1-10(2)14-9-18-15(17-14)13-8-7-11-5-3-4-6-12(11)16-13/h3-8,10,14H,9H2,1-2H3/t14-/m1/s1
InChIKey
CCXYFOHSQUOJAN-CQSZACIVSA-N
Compound name
(4S)-4-propan-2-yl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

240.12627 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 155.0
[M+Na]+ 263.115488 163.3
[M-H]- 239.118994 160.7
[M+NH4]+ 258.160093 171.4
[M+K]+ 279.089428 160.4
[M+H-H2O]+ 223.123530 146.6
[M+HCOO]- 285.124471 173.9
[M+CH3COO]- 299.140121 167.3
[M+Na-2H]- 261.100936 159.7
[M]+ 240.12572142 155.8
[M]- 240.12681858 155.8
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