CID 15954779

5-[5-[2,6-dimethyl-4-(3-methyl-2-pyridyl)phenoxy]pentyl]-3-methyl-isoxazole

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CC1=C(N=CC=C1)C2=CC(=C(C(=C2)C)OCCCCCC3=CC(=NO3)C)C
InChI
InChI=1S/C23H28N2O2/c1-16-9-8-11-24-22(16)20-13-17(2)23(18(3)14-20)26-12-7-5-6-10-21-15-19(4)25-27-21/h8-9,11,13-15H,5-7,10,12H2,1-4H3
InChIKey
RMCFRMODJDHFDG-UHFFFAOYSA-N
Compound name
5-[5-[2,6-dimethyl-4-(3-methylpyridin-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.22238 192.5
[M+Na]+ 387.20432 201.0
[M-H]- 363.20782 200.5
[M+NH4]+ 382.24892 203.2
[M+K]+ 403.17826 196.2
[M+H-H2O]+ 347.21236 182.1
[M+HCOO]- 409.21330 212.6
[M+CH3COO]- 423.22895 219.6
[M+Na-2H]- 385.18977 192.1
[M]+ 364.21455 199.1
[M]- 364.21565 199.1
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.