CID 45306

Ap 45

Structural Information

Molecular Formula
C18H19NO2
SMILES
CN(C)CCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H19NO2/c1-19(2)13-12-18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)21-17(18)20/h3-11H,12-13H2,1-2H3
InChIKey
IMVLIGDOTWRCDQ-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.14157 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.148846 165.7
[M+Na]+ 304.130788 173.4
[M-H]- 280.134294 175.4
[M+NH4]+ 299.175393 185.4
[M+K]+ 320.104728 171.1
[M+H-H2O]+ 264.138830 158.4
[M+HCOO]- 326.139771 189.1
[M+CH3COO]- 340.155421 205.2
[M+Na-2H]- 302.116236 171.1
[M]+ 281.14102142 168.6
[M]- 281.14211858 168.6
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.