CID 5271228

105639-09-6

Structural Information

Molecular Formula
C22H30N2O3
SMILES
CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2)C3=NCCO3)C(C)(C)C
InChI
InChI=1S/C22H30N2O3/c1-16-14-18(27-24-16)8-6-5-7-12-25-20-10-9-17(21-23-11-13-26-21)15-19(20)22(2,3)4/h9-10,14-15H,5-8,11-13H2,1-4H3
InChIKey
SLOLPUCHQAUMGG-UHFFFAOYSA-N
Compound name
5-[5-[2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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 192.6
[M+Na]+ 393.21487 198.9
[M-H]- 369.21837 200.9
[M+NH4]+ 388.25947 203.2
[M+K]+ 409.18881 197.1
[M+H-H2O]+ 353.22291 184.2
[M+HCOO]- 415.22385 210.2
[M+CH3COO]- 429.23950 216.7
[M+Na-2H]- 391.20032 192.3
[M]+ 370.22510 199.0
[M]- 370.22620 199.0
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