CID 3054568

Ift 1025

Structural Information

Molecular Formula
C21H30Br2N2O
SMILES
CN(CC1=C(C(=CC(=C1)Br)Br)NC(=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C21H30Br2N2O/c1-25(18-10-6-3-7-11-18)14-16-12-17(22)13-19(23)20(16)24-21(26)15-8-4-2-5-9-15/h12-13,15,18H,2-11,14H2,1H3,(H,24,26)
InChIKey
GJSHLTSULSRTDB-UHFFFAOYSA-N
Compound name
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.07248 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.07976 196.5
[M+Na]+ 507.06170 198.6
[M-H]- 483.06520 205.8
[M+NH4]+ 502.10630 208.3
[M+K]+ 523.03564 183.4
[M+H-H2O]+ 467.06974 201.0
[M+HCOO]- 529.07068 206.0
[M+CH3COO]- 543.08633 235.7
[M+Na-2H]- 505.04715 194.8
[M]+ 484.07193 223.2
[M]- 484.07303 223.2
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.