CID 5272755

5-[7-(4-imidazolidin-1-ylphenoxy)heptyl]-3-methyl-isoxazole

Structural Information

Molecular Formula
C20H29N3O2
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)N3CCNC3
InChI
InChI=1S/C20H29N3O2/c1-17-15-20(25-22-17)7-5-3-2-4-6-14-24-19-10-8-18(9-11-19)23-13-12-21-16-23/h8-11,15,21H,2-7,12-14,16H2,1H3
InChIKey
MOMGCNUOLVPCQT-UHFFFAOYSA-N
Compound name
5-[7-(4-imidazolidin-1-ylphenoxy)heptyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.22598 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.23326 184.2
[M+Na]+ 366.21520 188.3
[M-H]- 342.21870 188.3
[M+NH4]+ 361.25980 194.5
[M+K]+ 382.18914 184.3
[M+H-H2O]+ 326.22324 173.7
[M+HCOO]- 388.22418 200.5
[M+CH3COO]- 402.23983 208.2
[M+Na-2H]- 364.20065 182.4
[M]+ 343.22543 185.3
[M]- 343.22653 185.3
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.