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
2
Annotation Hits

0
References

6
Patents

457.27292 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.280196 218.2
[M+Na]+ 480.262138 223.9
[M-H]- 456.265644 233.3
[M+NH4]+ 475.306743 231.3
[M+K]+ 496.236078 222.3
[M+H-H2O]+ 440.270180 207.8
[M+HCOO]- 502.271121 241.5
[M+CH3COO]- 516.286771 255.0
[M+Na-2H]- 478.247586 216.7
[M]+ 457.27237142 224.7
[M]- 457.27346858 224.7
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