CID 3069777

Brn 5611383

Structural Information

Molecular Formula
C19H26ClN3O2
SMILES
CC1=CC(=C(C(=C1C)C(=C)N2C=CN=C2)OCC(CNC(C)C)O)Cl
InChI
InChI=1S/C19H26ClN3O2/c1-12(2)22-9-16(24)10-25-19-17(20)8-13(3)14(4)18(19)15(5)23-7-6-21-11-23/h6-8,11-12,16,22,24H,5,9-10H2,1-4H3
InChIKey
UOUFRBKRLMKLHS-UHFFFAOYSA-N
Compound name
1-[6-chloro-2-(1-imidazol-1-ylethenyl)-3,4-dimethylphenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.17136 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17864 188.5
[M+Na]+ 386.16058 199.4
[M+NH4]+ 381.20518 193.9
[M+K]+ 402.13452 195.4
[M-H]- 362.16408 189.9
[M+Na-2H]- 384.14603 192.2
[M]+ 363.17081 190.4
[M]- 363.17191 190.4
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.