CID 16244624

Tert-butyl n-{2-amino-2-[2-(trifluoromethyl)phenyl]ethyl}carbamate

Structural Information

Molecular Formula
C14H19F3N2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=CC=CC=C1C(F)(F)F)N
InChI
InChI=1S/C14H19F3N2O2/c1-13(2,3)21-12(20)19-8-11(18)9-6-4-5-7-10(9)14(15,16)17/h4-7,11H,8,18H2,1-3H3,(H,19,20)
InChIKey
FDHWWVABOPXSGH-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-[2-(trifluoromethyl)phenyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

304.13986 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.147136 168.5
[M+Na]+ 327.129078 174.0
[M-H]- 303.132584 167.5
[M+NH4]+ 322.173683 182.8
[M+K]+ 343.103018 171.7
[M+H-H2O]+ 287.137120 159.7
[M+HCOO]- 349.138061 185.2
[M+CH3COO]- 363.153711 208.1
[M+Na-2H]- 325.114526 170.4
[M]+ 304.13931142 164.0
[M]- 304.14040858 164.0
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