CID 23343365

52830-80-5

Structural Information

Molecular Formula
C29H35N3O2
SMILES
CCN(CC)C1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)N(C)C)N(C)C)C
InChI
InChI=1S/C29H35N3O2/c1-8-32(9-2)22-15-16-24(20(3)18-22)29(25-13-11-10-12-23(25)28(33)34-29)26-17-14-21(30(4)5)19-27(26)31(6)7/h10-19H,8-9H2,1-7H3
InChIKey
YEWGFFJIKYOBSD-UHFFFAOYSA-N
Compound name
3-[2,4-bis(dimethylamino)phenyl]-3-[4-(diethylamino)-2-methylphenyl]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

457.27292 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.28020 216.5
[M+Na]+ 480.26214 229.7
[M+NH4]+ 475.30674 225.7
[M+K]+ 496.23608 221.4
[M-H]- 456.26564 226.9
[M+Na-2H]- 478.24759 225.4
[M]+ 457.27237 221.7
[M]- 457.27347 221.7
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

patents stripe