CID 458560

8-(dimethylaminomethyl)-9,10-dihydro-8h-naphtho[7,6-b]benzofuran-7-one

Structural Information

Molecular Formula
C19H19NO2
SMILES
CN(C)CC1CCC2=CC3=C(C=C2C1=O)OC4=CC=CC=C43
InChI
InChI=1S/C19H19NO2/c1-20(2)11-13-8-7-12-9-16-14-5-3-4-6-17(14)22-18(16)10-15(12)19(13)21/h3-6,9-10,13H,7-8,11H2,1-2H3
InChIKey
YDPWKVMWEHEVLG-UHFFFAOYSA-N
Compound name
8-[(dimethylamino)methyl]-9,10-dihydro-8H-naphtho[7,6-b][1]benzofuran-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14885 166.7
[M+Na]+ 316.13079 175.8
[M-H]- 292.13429 175.2
[M+NH4]+ 311.17539 186.4
[M+K]+ 332.10473 172.4
[M+H-H2O]+ 276.13883 159.6
[M+HCOO]- 338.13977 187.5
[M+CH3COO]- 352.15542 179.5
[M+Na-2H]- 314.11624 172.3
[M]+ 293.14102 170.3
[M]- 293.14212 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.