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]+ 350.16298 184.0
[M+Na]+ 372.14492 190.1
[M-H]- 348.14842 186.7
[M+NH4]+ 367.18952 196.2
[M+K]+ 388.11886 184.7
[M+H-H2O]+ 332.15296 175.7
[M+HCOO]- 394.15390 197.8
[M+CH3COO]- 408.16955 214.5
[M+Na-2H]- 370.13037 181.4
[M]+ 349.15515 187.4
[M]- 349.15625 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.