CID 5272160

98034-10-7

Structural Information

Molecular Formula
C21H28N2O3
SMILES
CC1CN=C(O1)C2=CC=C(C=C2)OCCCCCCCC3=CC(=NO3)C
InChI
InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-15-17(2)25-21/h9-12,14,17H,3-8,13,15H2,1-2H3
InChIKey
BFAQBFRVLDCXCV-UHFFFAOYSA-N
Compound name
3-methyl-5-[7-[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

356.21 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21728 187.6
[M+Na]+ 379.19922 193.9
[M-H]- 355.20272 195.7
[M+NH4]+ 374.24382 198.6
[M+K]+ 395.17316 191.8
[M+H-H2O]+ 339.20726 178.5
[M+HCOO]- 401.20820 207.2
[M+CH3COO]- 415.22385 213.9
[M+Na-2H]- 377.18467 186.7
[M]+ 356.20945 194.2
[M]- 356.21055 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe