CID 3079069

Sgd 18878

Structural Information

Molecular Formula
C19H24Cl2N2O
SMILES
CCCC/C(=C(\C1=C(C=C(C=C1)Cl)Cl)/OCCCC)/N2C=CN=C2
InChI
InChI=1S/C19H24Cl2N2O/c1-3-5-7-18(23-11-10-22-14-23)19(24-12-6-4-2)16-9-8-15(20)13-17(16)21/h8-11,13-14H,3-7,12H2,1-2H3/b19-18-
InChIKey
XBJBOJQWSDQMDZ-HNENSFHCSA-N
Compound name
1-[(Z)-1-butoxy-1-(2,4-dichlorophenyl)hex-1-en-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12656 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.13384 187.8
[M+Na]+ 389.11578 194.7
[M-H]- 365.11928 190.2
[M+NH4]+ 384.16038 200.6
[M+K]+ 405.08972 187.3
[M+H-H2O]+ 349.12382 178.9
[M+HCOO]- 411.12476 197.1
[M+CH3COO]- 425.14041 214.2
[M+Na-2H]- 387.10123 185.4
[M]+ 366.12601 193.5
[M]- 366.12711 193.5
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

No patent data available for this compound.