CID 165663426

En300-1878271

Structural Information

Molecular Formula
C13H18BrClN2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=CC(=C(C=C1)Br)Cl)N
InChI
InChI=1S/C13H18BrClN2O2/c1-13(2,3)19-12(18)17-7-11(16)8-4-5-9(14)10(15)6-8/h4-6,11H,7,16H2,1-3H3,(H,17,18)
InChIKey
DRIXPVMKWAXHIV-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-(4-bromo-3-chlorophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.02402 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.03130 172.7
[M+Na]+ 371.01324 182.5
[M-H]- 347.01674 178.3
[M+NH4]+ 366.05784 190.1
[M+K]+ 386.98718 169.4
[M+H-H2O]+ 331.02128 171.9
[M+HCOO]- 393.02222 187.4
[M+CH3COO]- 407.03787 210.5
[M+Na-2H]- 368.99869 175.5
[M]+ 348.02347 192.6
[M]- 348.02457 192.6
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.