CID 3068297

2-(2,4-dichlorophenyl)-3-n-hexylamino-1-(imidazol-1-yl)-2-propanol

Structural Information

Molecular Formula
C18H25Cl2N3O
SMILES
CCCCCCNCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C18H25Cl2N3O/c1-2-3-4-5-8-21-12-18(24,13-23-10-9-22-14-23)16-7-6-15(19)11-17(16)20/h6-7,9-11,14,21,24H,2-5,8,12-13H2,1H3
InChIKey
OFCHVRLSDOTRCY-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(hexylamino)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13748 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14476 189.5
[M+Na]+ 392.12670 196.0
[M-H]- 368.13020 190.8
[M+NH4]+ 387.17130 201.4
[M+K]+ 408.10064 188.2
[M+H-H2O]+ 352.13474 181.0
[M+HCOO]- 414.13568 198.8
[M+CH3COO]- 428.15133 214.0
[M+Na-2H]- 390.11215 190.8
[M]+ 369.13693 193.8
[M]- 369.13803 193.8
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