CID 3054564

Ift 1022

Structural Information

Molecular Formula
C18H26Br2N2O
SMILES
CCCC(=O)NC1=C(C=C(C=C1Br)Br)CN(C)C2CCCCC2
InChI
InChI=1S/C18H26Br2N2O/c1-3-7-17(23)21-18-13(10-14(19)11-16(18)20)12-22(2)15-8-5-4-6-9-15/h10-11,15H,3-9,12H2,1-2H3,(H,21,23)
InChIKey
KFVRBPHMXXOCMA-UHFFFAOYSA-N
Compound name
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

444.0412 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.04848 184.4
[M+Na]+ 467.03042 189.5
[M-H]- 443.03392 192.6
[M+NH4]+ 462.07502 198.2
[M+K]+ 483.00436 173.5
[M+H-H2O]+ 427.03846 189.0
[M+HCOO]- 489.03940 197.1
[M+CH3COO]- 503.05505 231.3
[M+Na-2H]- 465.01587 184.7
[M]+ 444.04065 215.5
[M]- 444.04175 215.5
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

patents stripe