CID 4260

Moxisylyte

Structural Information

Molecular Formula
C16H25NO3
SMILES
CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C
InChI
InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3
InChIKey
VRYMTAVOXVTQEF-UHFFFAOYSA-N
Compound name
[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

323
References

2040
Patents

279.18344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 167.2
[M+Na]+ 302.17266 177.8
[M+NH4]+ 297.21726 173.8
[M+K]+ 318.14660 172.7
[M-H]- 278.17616 168.9
[M+Na-2H]- 300.15811 171.3
[M]+ 279.18289 169.0
[M]- 279.18399 169.0
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