CID 59945

Cyclopropanecarboxamide, n,n-diethyl-2-((methylamino)methyl)-1-phenyl-, (z)-, oxalate

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCN(CC)C(=O)[C@@]1(C[C@@H]1CNC)C2=CC=CC=C2
InChI
InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12-17-3)13-9-7-6-8-10-13/h6-10,14,17H,4-5,11-12H2,1-3H3/t14-,16+/m1/s1
InChIKey
OCYYUEJRVUGFGH-ZBFHGGJFSA-N
Compound name
(1R,2S)-N,N-diethyl-2-(methylaminomethyl)-1-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.18887 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 160.2
[M+Na]+ 283.17809 166.7
[M-H]- 259.18159 168.7
[M+NH4]+ 278.22269 174.3
[M+K]+ 299.15203 164.7
[M+H-H2O]+ 243.18613 153.5
[M+HCOO]- 305.18707 184.7
[M+CH3COO]- 319.20272 208.3
[M+Na-2H]- 281.16354 164.5
[M]+ 260.18832 164.4
[M]- 260.18942 164.4
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

patents stripe