CID 24689001

1016744-21-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 162.5
[M+Na]+ 295.12286 169.5
[M+NH4]+ 290.16746 167.1
[M+K]+ 311.09680 165.8
[M-H]- 271.12636 160.5
[M+Na-2H]- 293.10831 165.0
[M]+ 272.13309 162.4
[M]- 272.13419 162.4
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