CID 3054570

Ift 1027

Structural Information

Molecular Formula
C26H40Br2N2O2
SMILES
CC1CCC(C(C1)OCC(=O)NC2=C(C=C(C=C2Br)Br)CN(C)C3CCCCC3)C(C)C
InChI
InChI=1S/C26H40Br2N2O2/c1-17(2)22-11-10-18(3)12-24(22)32-16-25(31)29-26-19(13-20(27)14-23(26)28)15-30(4)21-8-6-5-7-9-21/h13-14,17-18,21-22,24H,5-12,15-16H2,1-4H3,(H,29,31)
InChIKey
MJZMJCDSDPIATC-UHFFFAOYSA-N
Compound name
N-[2,4-dibromo-6-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.1456 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.15288 217.8
[M+Na]+ 593.13482 218.9
[M-H]- 569.13832 226.7
[M+NH4]+ 588.17942 226.9
[M+K]+ 609.10876 203.8
[M+H-H2O]+ 553.14286 221.4
[M+HCOO]- 615.14380 225.0
[M+CH3COO]- 629.15945 250.9
[M+Na-2H]- 591.12027 212.0
[M]+ 570.14505 246.6
[M]- 570.14615 246.6
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.