CID 3064677

Brn 5974843

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CCN(CC)C(=O)[C@@]1(C[C@H]1CNC(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C17H24N2O2/c1-4-19(5-2)16(21)17(14-9-7-6-8-10-14)11-15(17)12-18-13(3)20/h6-10,15H,4-5,11-12H2,1-3H3,(H,18,20)/t15-,17-/m0/s1
InChIKey
MAVOTMZDFYXNAJ-RDJZCZTQSA-N
Compound name
trans-(1R,2R)-2-(acetamidomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.191056 167.0
[M+Na]+ 311.172998 173.2
[M-H]- 287.176504 175.4
[M+NH4]+ 306.217603 179.9
[M+K]+ 327.146938 171.2
[M+H-H2O]+ 271.181040 160.4
[M+HCOO]- 333.181981 190.6
[M+CH3COO]- 347.197631 212.5
[M+Na-2H]- 309.158446 169.8
[M]+ 288.18323142 171.7
[M]- 288.18432858 171.7
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.