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 195.0
[M-H]- 362.16408 191.4
[M+NH4]+ 381.20518 200.4
[M+K]+ 402.13452 189.4
[M+H-H2O]+ 346.16862 180.3
[M+HCOO]- 408.16956 201.9
[M+CH3COO]- 422.18521 218.8
[M+Na-2H]- 384.14603 184.7
[M]+ 363.17081 192.6
[M]- 363.17191 192.6
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.