CID 6917779

Levomilnacipran

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCN(CC)C(=O)[C@]1(C[C@H]1CN)C2=CC=CC=C2
InChI
InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
InChIKey
GJJFMKBJSRMPLA-DZGCQCFKSA-N
Compound name
cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

748
References

21987
Patents

246.17322 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 155.9
[M+Na]+ 269.16244 162.9
[M-H]- 245.16594 164.1
[M+NH4]+ 264.20704 170.4
[M+K]+ 285.13638 160.8
[M+H-H2O]+ 229.17048 149.5
[M+HCOO]- 291.17142 180.1
[M+CH3COO]- 305.18707 204.8
[M+Na-2H]- 267.14789 159.8
[M]+ 246.17267 158.9
[M]- 246.17377 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.