CID 15954776

Schembl10509314

Structural Information

Molecular Formula
C21H27N3O2
SMILES
CC1=CC(=CC(=C1OCCCCCC2=CC(=NO2)C)C)C3=NC=CN3C
InChI
InChI=1S/C21H27N3O2/c1-15-12-18(21-22-9-10-24(21)4)13-16(2)20(15)25-11-7-5-6-8-19-14-17(3)23-26-19/h9-10,12-14H,5-8,11H2,1-4H3
InChIKey
MYMGNSLFRMGJGC-UHFFFAOYSA-N
Compound name
5-[5-[2,6-dimethyl-4-(1-methylimidazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.21033 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.21761 186.6
[M+Na]+ 376.19955 196.7
[M-H]- 352.20305 194.4
[M+NH4]+ 371.24415 198.5
[M+K]+ 392.17349 192.5
[M+H-H2O]+ 336.20759 176.9
[M+HCOO]- 398.20853 208.4
[M+CH3COO]- 412.22418 216.2
[M+Na-2H]- 374.18500 185.4
[M]+ 353.20978 195.4
[M]- 353.21088 195.4
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