CID 28375

2',6'-acetoxylidide, 4'-bromo-2-(butylamino)-

Structural Information

Molecular Formula
C14H21BrN2O
SMILES
CCCCNCC(=O)NC1=C(C=C(C=C1C)Br)C
InChI
InChI=1S/C14H21BrN2O/c1-4-5-6-16-9-13(18)17-14-10(2)7-12(15)8-11(14)3/h7-8,16H,4-6,9H2,1-3H3,(H,17,18)
InChIKey
SQEHTTLACAWHEB-UHFFFAOYSA-N
Compound name
N-(4-bromo-2,6-dimethylphenyl)-2-(butylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.08374 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09102 166.8
[M+Na]+ 335.07296 175.8
[M-H]- 311.07646 172.5
[M+NH4]+ 330.11756 184.9
[M+K]+ 351.04690 163.4
[M+H-H2O]+ 295.08100 164.5
[M+HCOO]- 357.08194 188.1
[M+CH3COO]- 371.09759 209.7
[M+Na-2H]- 333.05841 170.1
[M]+ 312.08319 186.1
[M]- 312.08429 186.1
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.