CID 116756

71215-85-5

Structural Information

Molecular Formula
C32H32N2O2
SMILES
CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CC)C)C
InChI
InChI=1S/C32H32N2O2/c1-5-7-20-34-22(4)30(25-16-10-13-19-28(25)34)32(26-17-11-8-14-23(26)31(35)36-32)29-21(3)33(6-2)27-18-12-9-15-24(27)29/h8-19H,5-7,20H2,1-4H3
InChIKey
XIWUAIKWSZMVNR-UHFFFAOYSA-N
Compound name
3-(1-butyl-2-methylindol-3-yl)-3-(1-ethyl-2-methylindol-3-yl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

476.24637 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.25365 222.3
[M+Na]+ 499.23559 234.7
[M-H]- 475.23909 235.2
[M+NH4]+ 494.28019 237.2
[M+K]+ 515.20953 227.0
[M+H-H2O]+ 459.24363 213.4
[M+HCOO]- 521.24457 241.2
[M+CH3COO]- 535.26022 232.6
[M+Na-2H]- 497.22104 217.9
[M]+ 476.24582 231.6
[M]- 476.24692 231.6
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