CID 3054562

Ift 1021

Structural Information

Molecular Formula
C17H24Br2N2O
SMILES
CCC(=O)NC1=C(C=C(C=C1Br)Br)CN(C)C2CCCCC2
InChI
InChI=1S/C17H24Br2N2O/c1-3-16(22)20-17-12(9-13(18)10-15(17)19)11-21(2)14-7-5-4-6-8-14/h9-10,14H,3-8,11H2,1-2H3,(H,20,22)
InChIKey
QFUDODKDSGQONU-UHFFFAOYSA-N
Compound name
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.02554 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.03282 180.4
[M+Na]+ 453.01476 185.8
[M-H]- 429.01826 188.7
[M+NH4]+ 448.05936 194.7
[M+K]+ 468.98870 170.1
[M+H-H2O]+ 413.02280 185.2
[M+HCOO]- 475.02374 193.4
[M+CH3COO]- 489.03939 229.1
[M+Na-2H]- 451.00021 181.2
[M]+ 430.02499 211.3
[M]- 430.02609 211.3
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.