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
6
Annotation Hits

323
References

2148
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 167.1
[M+Na]+ 302.17266 173.4
[M-H]- 278.17616 172.2
[M+NH4]+ 297.21726 184.2
[M+K]+ 318.14660 173.3
[M+H-H2O]+ 262.18070 160.1
[M+HCOO]- 324.18164 189.8
[M+CH3COO]- 338.19729 210.6
[M+Na-2H]- 300.15811 166.7
[M]+ 279.18289 173.6
[M]- 279.18399 173.6
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