CID 22020

Brn 1556958

Structural Information

Molecular Formula
C32H41N3O2
SMILES
CCN(CC)CCOC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OCCN(CC)CC
InChI
InChI=1S/C32H41N3O2/c1-5-34(6-2)21-23-36-27-17-13-25(14-18-27)31-29-11-9-10-12-30(29)33-32(31)26-15-19-28(20-16-26)37-24-22-35(7-3)8-4/h9-20,33H,5-8,21-24H2,1-4H3
InChIKey
KOSAYSPEZLHSPX-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1H-indol-3-yl]phenoxy]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.3199 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.32718 231.5
[M+Na]+ 522.30912 244.9
[M+NH4]+ 517.35372 238.3
[M+K]+ 538.28306 236.2
[M-H]- 498.31262 239.2
[M+Na-2H]- 520.29457 239.7
[M]+ 499.31935 235.7
[M]- 499.32045 235.7
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

No patent data available for this compound.