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-methyl-2-pyridinyl)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]+ 365.222376 192.5
[M+Na]+ 387.204318 201.0
[M-H]- 363.207824 200.5
[M+NH4]+ 382.248923 203.2
[M+K]+ 403.178258 196.2
[M+H-H2O]+ 347.212360 182.1
[M+HCOO]- 409.213301 212.6
[M+CH3COO]- 423.228951 219.6
[M+Na-2H]- 385.189766 192.1
[M]+ 364.21455142 199.1
[M]- 364.21564858 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.