CID 3054560

Ift 1026

Structural Information

Molecular Formula
C23H28Br2N2O3
SMILES
CN(CC1=C(C(=CC(=C1)Br)Br)NC(=O)COC2=CC=CC=C2OC)C3CCCCC3
InChI
InChI=1S/C23H28Br2N2O3/c1-27(18-8-4-3-5-9-18)14-16-12-17(24)13-19(25)23(16)26-22(28)15-30-21-11-7-6-10-20(21)29-2/h6-7,10-13,18H,3-5,8-9,14-15H2,1-2H3,(H,26,28)
InChIKey
RRUWDAGEGWQLML-UHFFFAOYSA-N
Compound name
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(2-methoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.0467 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.05398 202.9
[M+Na]+ 561.03592 206.5
[M-H]- 537.03942 212.9
[M+NH4]+ 556.08052 213.0
[M+K]+ 577.00986 191.9
[M+H-H2O]+ 521.04396 206.4
[M+HCOO]- 583.04490 215.2
[M+CH3COO]- 597.06055 243.4
[M+Na-2H]- 559.02137 202.3
[M]+ 538.04615 235.5
[M]- 538.04725 235.5
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.