CID 121231431

5-methoxy-3-[(4e,7e)-4-(5-methoxy-1h-indol-3-yl)-2,3,6,9-tetrahydro-1h-azonin-7-yl]-1h-indole

Structural Information

Molecular Formula
C26H27N3O2
SMILES
COC1=CC2=C(C=C1)NC=C2/C/3=C/C/C(=C\CNCC3)/C4=CNC5=C4C=C(C=C5)OC
InChI
InChI=1S/C26H27N3O2/c1-30-19-5-7-25-21(13-19)23(15-28-25)17-3-4-18(10-12-27-11-9-17)24-16-29-26-8-6-20(31-2)14-22(24)26/h3,5-8,10,13-16,27-29H,4,9,11-12H2,1-2H3/b17-3+,18-10+
InChIKey
YQCNVQFKFWXRKI-RNDAYAKQSA-N
Compound name
5-methoxy-3-[(4E,7E)-4-(5-methoxy-1H-indol-3-yl)-2,3,6,9-tetrahydro-1H-azonin-7-yl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.21033 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.21761 200.7
[M+Na]+ 436.19955 202.8
[M+NH4]+ 431.24415 201.5
[M+K]+ 452.17349 200.5
[M-H]- 412.20305 201.3
[M+Na-2H]- 434.18500 199.9
[M]+ 413.20978 201.3
[M]- 413.21088 201.3
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.