CID 22571999

232275-48-8

Structural Information

Molecular Formula
C13H18BrNO4
SMILES
CC(C)(C)OC(=O)NC1=CC(=C(C(=C1)OC)Br)OC
InChI
InChI=1S/C13H18BrNO4/c1-13(2,3)19-12(16)15-8-6-9(17-4)11(14)10(7-8)18-5/h6-7H,1-5H3,(H,15,16)
InChIKey
BBTLGAJOVUTDPY-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-bromo-3,5-dimethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

331.04193 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.04921 166.5
[M+Na]+ 354.03115 177.1
[M-H]- 330.03465 173.0
[M+NH4]+ 349.07575 184.5
[M+K]+ 370.00509 167.3
[M+H-H2O]+ 314.03919 165.3
[M+HCOO]- 376.04013 186.5
[M+CH3COO]- 390.05578 207.2
[M+Na-2H]- 352.01660 171.3
[M]+ 331.04138 189.9
[M]- 331.04248 189.9
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