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]+ 288.170676 168.8
[M+Na]+ 310.152618 173.6
[M-H]- 286.156124 172.6
[M+NH4]+ 305.197223 182.6
[M+K]+ 326.126558 171.2
[M+H-H2O]+ 270.160660 159.4
[M+HCOO]- 332.161601 189.3
[M+CH3COO]- 346.177251 205.0
[M+Na-2H]- 308.138066 169.5
[M]+ 287.16285142 170.3
[M]- 287.16394858 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

literature stripe

Patent stripe

patents stripe