CID 36109

Medifoxamine

Structural Information

Molecular Formula
C16H19NO2
SMILES
CN(C)CC(OC1=CC=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C16H19NO2/c1-17(2)13-16(18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKey
QNMGHBMGNRQPNL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2,2-diphenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

2987
Patents

257.14157 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 160.3
[M+Na]+ 280.13079 164.8
[M-H]- 256.13429 167.6
[M+NH4]+ 275.17539 176.8
[M+K]+ 296.10473 163.4
[M+H-H2O]+ 240.13883 151.7
[M+HCOO]- 302.13977 184.9
[M+CH3COO]- 316.15542 201.2
[M+Na-2H]- 278.11624 165.6
[M]+ 257.14102 162.7
[M]- 257.14212 162.7
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