CID 515336

98054-14-9

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)C3=NC(CO3)(C)C
InChI
InChI=1S/C22H30N2O3/c1-17-15-20(27-24-17)9-7-5-4-6-8-14-25-19-12-10-18(11-13-19)21-23-22(2,3)16-26-21/h10-13,15H,4-9,14,16H2,1-3H3
InChIKey
UZNYBPPIYOHJBB-UHFFFAOYSA-N
Compound name
5-[7-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

370.22565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.23293 190.0
[M+Na]+ 393.21487 196.8
[M-H]- 369.21837 198.2
[M+NH4]+ 388.25947 202.4
[M+K]+ 409.18881 194.8
[M+H-H2O]+ 353.22291 181.3
[M+HCOO]- 415.22385 209.3
[M+CH3COO]- 429.23950 216.3
[M+Na-2H]- 391.20032 189.9
[M]+ 370.22510 197.3
[M]- 370.22620 197.3
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