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 215.1
[M+Na]+ 436.19955 210.0
[M-H]- 412.20305 212.1
[M+NH4]+ 431.24415 212.2
[M+K]+ 452.17349 210.5
[M+H-H2O]+ 396.20759 203.6
[M+HCOO]- 458.20853 212.5
[M+CH3COO]- 472.22418 212.7
[M+Na-2H]- 434.18500 212.8
[M]+ 413.20978 212.2
[M]- 413.21088 212.2
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.