CID 162583

50292-91-6

Structural Information

Molecular Formula
C34H36N2O2
SMILES
CCCCN1C(=C(C2=CC=CC=C21)C3(C4=CC=CC=C4C(=O)O3)C5=C(N(C6=CC=CC=C65)CCCC)C)C
InChI
InChI=1S/C34H36N2O2/c1-5-7-21-35-23(3)31(26-16-10-13-19-29(26)35)34(28-18-12-9-15-25(28)33(37)38-34)32-24(4)36(22-8-6-2)30-20-14-11-17-27(30)32/h9-20H,5-8,21-22H2,1-4H3
InChIKey
JZEPXWWZAJGALH-UHFFFAOYSA-N
Compound name
3,3-bis(1-butyl-2-methylindol-3-yl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2211
Patents

504.27768 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.28496 231.2
[M+Na]+ 527.26690 242.5
[M-H]- 503.27040 243.6
[M+NH4]+ 522.31150 244.8
[M+K]+ 543.24084 234.5
[M+H-H2O]+ 487.27494 221.9
[M+HCOO]- 549.27588 249.3
[M+CH3COO]- 563.29153 240.5
[M+Na-2H]- 525.25235 225.7
[M]+ 504.27713 241.0
[M]- 504.27823 241.0
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