CID 3069776

85128-16-1

Structural Information

Molecular Formula
C18H24ClN3O2
SMILES
CC1=CC(=CC(=C1OCC(CNC(C)C)O)C(=C)N2C=CN=C2)Cl
InChI
InChI=1S/C18H24ClN3O2/c1-12(2)21-9-16(23)10-24-18-13(3)7-15(19)8-17(18)14(4)22-6-5-20-11-22/h5-8,11-12,16,21,23H,4,9-10H2,1-3H3
InChIKey
RTOZSTIUEUPGTP-UHFFFAOYSA-N
Compound name
1-[4-chloro-2-(1-imidazol-1-ylethenyl)-6-methylphenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.1557 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.162976 184.0
[M+Na]+ 372.144918 190.1
[M-H]- 348.148424 186.7
[M+NH4]+ 367.189523 196.2
[M+K]+ 388.118858 184.7
[M+H-H2O]+ 332.152960 175.7
[M+HCOO]- 394.153901 197.8
[M+CH3COO]- 408.169551 214.5
[M+Na-2H]- 370.130366 181.4
[M]+ 349.15515142 187.4
[M]- 349.15624858 187.4
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

No patent data available for this compound.