CID 114423

37401-68-6

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN(C)CCCC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c1-20(2)14-8-13-19(15-9-4-3-5-10-15)17-12-7-6-11-16(17)18(21)22-19/h3-7,9-12H,8,13-14H2,1-2H3
InChIKey
BHDBEMWNWGBDBB-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-3-phenyl-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 170.4
[M+Na]+ 318.146448 177.6
[M-H]- 294.149954 179.9
[M+NH4]+ 313.191053 189.5
[M+K]+ 334.120388 175.1
[M+H-H2O]+ 278.154490 162.9
[M+HCOO]- 340.155431 193.5
[M+CH3COO]- 354.171081 208.1
[M+Na-2H]- 316.131896 175.2
[M]+ 295.15668142 173.7
[M]- 295.15777858 173.7
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.