CID 105558

67697-46-5

Structural Information

Molecular Formula
C31H26N2O2
SMILES
CCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)N(C5=CC=CC=C5)C6=CC=CC=C6)C
InChI
InChI=1S/C31H26N2O2/c1-3-32-22(2)29(26-19-11-13-21-28(26)32)31(27-20-12-10-18-25(27)30(34)35-31)33(23-14-6-4-7-15-23)24-16-8-5-9-17-24/h4-21H,3H2,1-2H3
InChIKey
KVDCSHMOMPLXEU-UHFFFAOYSA-N
Compound name
3-(1-ethyl-2-methylindol-3-yl)-3-(N-phenylanilino)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

458.19943 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.20671 214.2
[M+Na]+ 481.18865 223.0
[M-H]- 457.19215 230.1
[M+NH4]+ 476.23325 227.0
[M+K]+ 497.16259 217.0
[M+H-H2O]+ 441.19669 202.9
[M+HCOO]- 503.19763 235.5
[M+CH3COO]- 517.21328 224.3
[M+Na-2H]- 479.17410 214.4
[M]+ 458.19888 218.4
[M]- 458.19998 218.4
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