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 214.9
[M+Na]+ 465.25124 221.5
[M-H]- 441.25474 225.4
[M+NH4]+ 460.29584 225.8
[M+K]+ 481.22518 215.6
[M+H-H2O]+ 425.25928 203.2
[M+HCOO]- 487.26022 237.4
[M+CH3COO]- 501.27587 240.0
[M+Na-2H]- 463.23669 214.3
[M]+ 442.26147 222.7
[M]- 442.26257 222.7
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.