CID 3069781

3-(dimethylamino)-1-(6-(1-(1h-imidazol-1-yl)vinyl)phenoxy)-2-propanol

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CN(C)CC(COC1=CC=CC=C1C(=C)N2C=CN=C2)O
InChI
InChI=1S/C16H21N3O2/c1-13(19-9-8-17-12-19)15-6-4-5-7-16(15)21-11-14(20)10-18(2)3/h4-9,12,14,20H,1,10-11H2,2-3H3
InChIKey
UKKWCLWCSWTKLJ-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[2-(1-imidazol-1-ylethenyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

287.1634 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 168.8
[M+Na]+ 310.15262 173.6
[M-H]- 286.15612 172.6
[M+NH4]+ 305.19722 182.6
[M+K]+ 326.12656 171.2
[M+H-H2O]+ 270.16066 159.4
[M+HCOO]- 332.16160 189.3
[M+CH3COO]- 346.17725 205.0
[M+Na-2H]- 308.13807 169.5
[M]+ 287.16285 170.3
[M]- 287.16395 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.