CID 3054566

Ift 1023

Structural Information

Molecular Formula
C21H32Br2N2O
SMILES
CCCCCCC(=O)NC1=C(C=C(C=C1Br)Br)CN(C)C2CCCCC2
InChI
InChI=1S/C21H32Br2N2O/c1-3-4-5-9-12-20(26)24-21-16(13-17(22)14-19(21)23)15-25(2)18-10-7-6-8-11-18/h13-14,18H,3-12,15H2,1-2H3,(H,24,26)
InChIKey
SCRKCSLFIASMOM-UHFFFAOYSA-N
Compound name
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.08813 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.09541 196.3
[M+Na]+ 509.07735 200.3
[M-H]- 485.08085 203.9
[M+NH4]+ 504.12195 208.7
[M+K]+ 525.05129 183.8
[M+H-H2O]+ 469.08539 200.4
[M+HCOO]- 531.08633 208.1
[M+CH3COO]- 545.10198 238.0
[M+Na-2H]- 507.06280 195.2
[M]+ 486.08758 228.1
[M]- 486.08868 228.1
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.