CID 6438413

Afk-108

Structural Information

Molecular Formula
C21H26Cl2N2O
SMILES
CC(=CCC/C(=C/COC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl)/C)C
InChI
InChI=1S/C21H26Cl2N2O/c1-16(2)5-4-6-17(3)9-12-26-21(14-25-11-10-24-15-25)19-8-7-18(22)13-20(19)23/h5,7-11,13,15,21H,4,6,12,14H2,1-3H3/b17-9+
InChIKey
KUJPUHSUDJSBKU-RQZCQDPDSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

392.1422 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14948 195.5
[M+Na]+ 415.13142 201.8
[M-H]- 391.13492 197.9
[M+NH4]+ 410.17602 207.3
[M+K]+ 431.10536 193.8
[M+H-H2O]+ 375.13946 186.7
[M+HCOO]- 437.14040 203.5
[M+CH3COO]- 451.15605 219.4
[M+Na-2H]- 413.11687 191.1
[M]+ 392.14165 200.8
[M]- 392.14275 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe