CID 45298

Ap 66

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CC(C)C1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c1-4-22(5-2)15-16(3)21(17-11-7-6-8-12-17)18-13-9-10-14-19(18)24-20(21)23/h6-14,16H,4-5,15H2,1-3H3
InChIKey
ABFFQECQKVSIJJ-UHFFFAOYSA-N
Compound name
3-[1-(diethylamino)propan-2-yl]-3-phenyl-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 180.3
[M+Na]+ 346.177758 186.2
[M-H]- 322.181264 189.4
[M+NH4]+ 341.222363 198.1
[M+K]+ 362.151698 183.8
[M+H-H2O]+ 306.185800 172.6
[M+HCOO]- 368.186741 201.6
[M+CH3COO]- 382.202391 214.9
[M+Na-2H]- 344.163206 182.8
[M]+ 323.18799142 183.5
[M]- 323.18908858 183.5
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.