CID 45302

3-(3-(diethylamino)propyl)-3-phenyl-2(3h)-benzofuranone hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
CCN(CC)CCCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c1-3-22(4-2)16-10-15-21(17-11-6-5-7-12-17)18-13-8-9-14-19(18)24-20(21)23/h5-9,11-14H,3-4,10,15-16H2,1-2H3
InChIKey
XZXWQHNJJIPEDE-UHFFFAOYSA-N
Compound name
3-[3-(diethylamino)propyl]-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

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.195816 179.8
[M+Na]+ 346.177758 186.1
[M-H]- 322.181264 188.8
[M+NH4]+ 341.222363 197.7
[M+K]+ 362.151698 183.1
[M+H-H2O]+ 306.185800 171.9
[M+HCOO]- 368.186741 202.1
[M+CH3COO]- 382.202391 214.1
[M+Na-2H]- 344.163206 183.5
[M]+ 323.18799142 183.7
[M]- 323.18908858 183.7
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.