CID 58915

73343-71-2

Structural Information

Molecular Formula
C30H33NO3
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C(=O)C2=C(OC3=CC=CC=C32)C4=C(C=C(C=C4C)C)C
InChI
InChI=1S/C30H33NO3/c1-6-31(7-2)16-17-33-24-14-12-23(13-15-24)29(32)28-25-10-8-9-11-26(25)34-30(28)27-21(4)18-20(3)19-22(27)5/h8-15,18-19H,6-7,16-17H2,1-5H3
InChIKey
JHWMWDVZBJQFMY-UHFFFAOYSA-N
Compound name
[4-[2-(diethylamino)ethoxy]phenyl]-[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.24603 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.25331 219.2
[M+Na]+ 478.23525 226.4
[M-H]- 454.23875 232.1
[M+NH4]+ 473.27985 229.8
[M+K]+ 494.20919 222.4
[M+H-H2O]+ 438.24329 208.9
[M+HCOO]- 500.24423 241.2
[M+CH3COO]- 514.25988 244.1
[M+Na-2H]- 476.22070 216.8
[M]+ 455.24548 228.1
[M]- 455.24658 228.1
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.