CID 3069778

Brn 5613849

Structural Information

Molecular Formula
C20H28ClN3O2
SMILES
CC1=CC(=C(C(=C1C)C(=C)N2C=CN=C2)OCC(CNC(C)(C)C)O)Cl
InChI
InChI=1S/C20H28ClN3O2/c1-13-9-17(21)19(26-11-16(25)10-23-20(4,5)6)18(14(13)2)15(3)24-8-7-22-12-24/h7-9,12,16,23,25H,3,10-11H2,1-2,4-6H3
InChIKey
JEZSFPSHLDVUFY-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[6-chloro-2-(1-imidazol-1-ylethenyl)-3,4-dimethylphenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.187 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19428 193.7
[M+Na]+ 400.17622 200.6
[M-H]- 376.17972 196.8
[M+NH4]+ 395.22082 205.3
[M+K]+ 416.15016 194.8
[M+H-H2O]+ 360.18426 185.9
[M+HCOO]- 422.18520 206.1
[M+CH3COO]- 436.20085 220.6
[M+Na-2H]- 398.16167 191.5
[M]+ 377.18645 198.1
[M]- 377.18755 198.1
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.