CID 24688788

Tert-butyl n-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate

Structural Information

Molecular Formula
C13H18F2N2O2
SMILES
CC(C)(C)OC(=O)NC(CN)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C13H18F2N2O2/c1-13(2,3)19-12(18)17-11(7-16)9-5-4-8(14)6-10(9)15/h4-6,11H,7,16H2,1-3H3,(H,17,18)
InChIKey
LZPQJWNVGUJWOO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-1-(2,4-difluorophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.13364 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14092 161.9
[M+Na]+ 295.12286 168.1
[M-H]- 271.12636 162.5
[M+NH4]+ 290.16746 177.7
[M+K]+ 311.09680 166.0
[M+H-H2O]+ 255.13090 153.8
[M+HCOO]- 317.13184 181.5
[M+CH3COO]- 331.14749 203.8
[M+Na-2H]- 293.10831 163.1
[M]+ 272.13309 159.3
[M]- 272.13419 159.3
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.