CID 170910531

Tert-butyl n-(2-(3,5-difluorophenyl)-2-(methylamino)ethyl)carbamate

Structural Information

Molecular Formula
C14H20F2N2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=CC(=CC(=C1)F)F)NC
InChI
InChI=1S/C14H20F2N2O2/c1-14(2,3)20-13(19)18-8-12(17-4)9-5-10(15)7-11(16)6-9/h5-7,12,17H,8H2,1-4H3,(H,18,19)
InChIKey
HKDLDPRGBDRUEW-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(3,5-difluorophenyl)-2-(methylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1493 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15658 166.1
[M+Na]+ 309.13852 171.9
[M-H]- 285.14202 167.0
[M+NH4]+ 304.18312 181.6
[M+K]+ 325.11246 169.8
[M+H-H2O]+ 269.14656 157.7
[M+HCOO]- 331.14750 186.0
[M+CH3COO]- 345.16315 207.4
[M+Na-2H]- 307.12397 167.9
[M]+ 286.14875 164.8
[M]- 286.14985 164.8
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.