CID 146083

108957-94-4

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CCOC(=O)C(C)(C)OC1=CC2=C(CCC(=C2)N3C=CN=C3)C=C1
InChI
InChI=1S/C19H22N2O3/c1-4-23-18(22)19(2,3)24-17-8-6-14-5-7-16(11-15(14)12-17)21-10-9-20-13-21/h6,8-13H,4-5,7H2,1-3H3
InChIKey
YDSOJJUBCARCDS-UHFFFAOYSA-N
Compound name
ethyl 2-[(7-imidazol-1-yl-5,6-dihydronaphthalen-2-yl)oxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

326.16306 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 179.4
[M+Na]+ 349.15228 185.9
[M-H]- 325.15578 184.1
[M+NH4]+ 344.19688 193.3
[M+K]+ 365.12622 182.5
[M+H-H2O]+ 309.16032 170.5
[M+HCOO]- 371.16126 196.7
[M+CH3COO]- 385.17691 208.2
[M+Na-2H]- 347.13773 182.5
[M]+ 326.16251 182.4
[M]- 326.16361 182.4
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

patents stripe