CID 116861286

Tert-butyl n-(2-(2-bromophenyl)-2-(methylamino)ethyl)carbamate

Structural Information

Molecular Formula
C14H21BrN2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=CC=CC=C1Br)NC
InChI
InChI=1S/C14H21BrN2O2/c1-14(2,3)19-13(18)17-9-12(16-4)10-7-5-6-8-11(10)15/h5-8,12,16H,9H2,1-4H3,(H,17,18)
InChIKey
XFVGPWPKDDVRMZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-bromophenyl)-2-(methylamino)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.07864 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08592 171.5
[M+Na]+ 351.06786 179.0
[M-H]- 327.07136 176.9
[M+NH4]+ 346.11246 188.6
[M+K]+ 367.04180 168.0
[M+H-H2O]+ 311.07590 169.4
[M+HCOO]- 373.07684 190.6
[M+CH3COO]- 387.09249 209.3
[M+Na-2H]- 349.05331 175.7
[M]+ 328.07809 190.3
[M]- 328.07919 190.3
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.