CID 3043761

Ift 1024

Structural Information

Molecular Formula
C21H24Br2N2O
SMILES
CN(CC1=C(C(=CC(=C1)Br)Br)NC(=O)C2=CC=CC=C2)C3CCCCC3
InChI
InChI=1S/C21H24Br2N2O/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/h2,4-5,8-9,12-13,18H,3,6-7,10-11,14H2,1H3,(H,24,26)
InChIKey
SSISCWJZVJGIHM-UHFFFAOYSA-N
Compound name
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

478.02554 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.03282 183.5
[M+Na]+ 501.01476 178.0
[M+NH4]+ 496.05936 185.2
[M+K]+ 516.98870 182.9
[M-H]- 477.01826 187.2
[M+Na-2H]- 499.00021 185.6
[M]+ 478.02499 182.7
[M]- 478.02609 182.7
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.