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
cis-(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]+ 261.196146 160.2
[M+Na]+ 283.178088 166.7
[M-H]- 259.181594 168.7
[M+NH4]+ 278.222693 174.3
[M+K]+ 299.152028 164.7
[M+H-H2O]+ 243.186130 153.5
[M+HCOO]- 305.187071 184.7
[M+CH3COO]- 319.202721 208.3
[M+Na-2H]- 281.163536 164.5
[M]+ 260.18832142 164.4
[M]- 260.18941858 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