CID 44154211

84083-17-0

Structural Information

Molecular Formula
C25H25NO2
SMILES
CCN(CC)C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)C
InChI
InChI=1S/C25H25NO2/c1-4-26(5-2)21-16-14-20(15-17-21)25(19-12-10-18(3)11-13-19)23-9-7-6-8-22(23)24(27)28-25/h6-17H,4-5H2,1-3H3
InChIKey
ITVGBYWULHOXRJ-UHFFFAOYSA-N
Compound name
3-[4-(diethylamino)phenyl]-3-(4-methylphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.18854 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19582 192.5
[M+Na]+ 394.17776 200.1
[M-H]- 370.18126 205.2
[M+NH4]+ 389.22236 208.3
[M+K]+ 410.15170 196.0
[M+H-H2O]+ 354.18580 183.2
[M+HCOO]- 416.18674 214.6
[M+CH3COO]- 430.20239 203.8
[M+Na-2H]- 392.16321 194.6
[M]+ 371.18799 195.8
[M]- 371.18909 195.8
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.