CID 4045

Mefexamide

Structural Information

Molecular Formula
C15H24N2O3
SMILES
CCN(CC)CCNC(=O)COC1=CC=C(C=C1)OC
InChI
InChI=1S/C15H24N2O3/c1-4-17(5-2)11-10-16-15(18)12-20-14-8-6-13(19-3)7-9-14/h6-9H,4-5,10-12H2,1-3H3,(H,16,18)
InChIKey
HUNIPYLVUPMFCZ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-(4-methoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

605
Patents

280.17868 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.18596 168.1
[M+Na]+ 303.16790 172.1
[M-H]- 279.17140 172.3
[M+NH4]+ 298.21250 184.0
[M+K]+ 319.14184 171.6
[M+H-H2O]+ 263.17594 160.0
[M+HCOO]- 325.17688 193.1
[M+CH3COO]- 339.19253 209.3
[M+Na-2H]- 301.15335 171.0
[M]+ 280.17813 173.2
[M]- 280.17923 173.2
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