CID 6476764

Schembl9367719

Structural Information

Molecular Formula
C22H29Cl2N3
SMILES
CC(=CCC/C(=C/CN(C)C(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl)/C)C
InChI
InChI=1S/C22H29Cl2N3/c1-17(2)6-5-7-18(3)10-12-26(4)22(15-27-13-11-25-16-27)20-9-8-19(23)14-21(20)24/h6,8-11,13-14,16,22H,5,7,12,15H2,1-4H3/b18-10+
InChIKey
GZEYPQKANGCJDM-VCHYOVAHSA-N
Compound name
(2E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]-N,3,7-trimethylocta-2,6-dien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

405.17386 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18114 201.9
[M+Na]+ 428.16308 207.0
[M-H]- 404.16658 205.5
[M+NH4]+ 423.20768 213.4
[M+K]+ 444.13702 199.5
[M+H-H2O]+ 388.17112 192.5
[M+HCOO]- 450.17206 210.9
[M+CH3COO]- 464.18771 228.4
[M+Na-2H]- 426.14853 196.6
[M]+ 405.17331 206.8
[M]- 405.17441 206.8
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