CID 22019

Brn 1514045

Structural Information

Molecular Formula
C29H34N2O2
SMILES
CCN(CC)CCCN1C2=CC=CC=C2C(=C1C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C29H34N2O2/c1-5-30(6-2)20-9-21-31-27-11-8-7-10-26(27)28(22-12-16-24(32-3)17-13-22)29(31)23-14-18-25(33-4)19-15-23/h7-8,10-19H,5-6,9,20-21H2,1-4H3
InChIKey
YFIIFEHCRLXSCS-UHFFFAOYSA-N
Compound name
3-[2,3-bis(4-methoxyphenyl)indol-1-yl]-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.26202 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.26930 214.6
[M+Na]+ 465.25124 230.7
[M+NH4]+ 460.29584 222.6
[M+K]+ 481.22518 221.7
[M-H]- 441.25474 222.5
[M+Na-2H]- 463.23669 224.0
[M]+ 442.26147 219.5
[M]- 442.26257 219.5
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.