CID 10728756

280755-83-1

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC(C)[C@@H]1COC(=N1)C2=NC=CC3=CC=CC=C32
InChI
InChI=1S/C15H16N2O/c1-10(2)13-9-18-15(17-13)14-12-6-4-3-5-11(12)7-8-16-14/h3-8,10,13H,9H2,1-2H3/t13-/m0/s1
InChIKey
OMIXBHKYBIDFKX-ZDUSSCGKSA-N
Compound name
(4R)-2-isoquinolin-1-yl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12627 Da
Monoisotopic Mass

3.3
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.