CID 3045406

Mecloxamine

Structural Information

Molecular Formula
C19H24ClNO
SMILES
CC(CN(C)C)OC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H24ClNO/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17/h5-13,15H,14H2,1-4H3
InChIKey
WILANEPAIMJUCP-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

317.15463 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16191 176.6
[M+Na]+ 340.14385 182.2
[M-H]- 316.14735 183.9
[M+NH4]+ 335.18845 192.1
[M+K]+ 356.11779 178.0
[M+H-H2O]+ 300.15189 169.0
[M+HCOO]- 362.15283 193.9
[M+CH3COO]- 376.16848 213.3
[M+Na-2H]- 338.12930 179.8
[M]+ 317.15408 181.0
[M]- 317.15518 181.0
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