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 229.9
[M+Na]+ 522.30912 232.9
[M-H]- 498.31262 239.4
[M+NH4]+ 517.35372 237.6
[M+K]+ 538.28306 227.1
[M+H-H2O]+ 482.31716 217.4
[M+HCOO]- 544.31810 251.4
[M+CH3COO]- 558.33375 253.1
[M+Na-2H]- 520.29457 228.3
[M]+ 499.31935 237.0
[M]- 499.32045 237.0
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