CID 5272763

Schembl9803998

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC(=NC3=CC=CC=C32)C
InChI
InChI=1S/C21H26N2O2/c1-16-15-21(19-11-7-8-12-20(19)22-16)24-13-9-5-3-4-6-10-18-14-17(2)23-25-18/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3
InChIKey
ZERHTRVRMMPJNY-UHFFFAOYSA-N
Compound name
3-methyl-5-[7-(2-methylquinolin-4-yl)oxyheptyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.19943 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 184.3
[M+Na]+ 361.18865 192.9
[M-H]- 337.19215 189.8
[M+NH4]+ 356.23325 197.0
[M+K]+ 377.16259 188.3
[M+H-H2O]+ 321.19669 174.4
[M+HCOO]- 383.19763 205.0
[M+CH3COO]- 397.21328 212.8
[M+Na-2H]- 359.17410 187.9
[M]+ 338.19888 192.2
[M]- 338.19998 192.2
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