CID 59919

Brn 5980706

Structural Information

Molecular Formula
C17H25N3O2
SMILES
CCN(CC)C(=O)[C@@]1(C[C@@H]1CNC(=O)CN)C2=CC=CC=C2
InChI
InChI=1S/C17H25N3O2/c1-3-20(4-2)16(22)17(13-8-6-5-7-9-13)10-14(17)12-19-15(21)11-18/h5-9,14H,3-4,10-12,18H2,1-2H3,(H,19,21)/t14-,17+/m1/s1
InChIKey
XZQBKIYIWLHZIO-PBHICJAKSA-N
Compound name
(1R,2S)-2-[[(2-aminoacetyl)amino]methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.19467 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20195 169.2
[M+Na]+ 326.18389 174.5
[M-H]- 302.18739 176.9
[M+NH4]+ 321.22849 180.9
[M+K]+ 342.15783 172.1
[M+H-H2O]+ 286.19193 162.5
[M+HCOO]- 348.19287 193.1
[M+CH3COO]- 362.20852 216.9
[M+Na-2H]- 324.16934 171.5
[M]+ 303.19412 172.3
[M]- 303.19522 172.3
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.