CID 376255

Nsc656963

Structural Information

Molecular Formula
C25H30N2O3
SMILES
CCCOC1=CC2=C(C=C1)NC=C2C(COC)C3=CNC4=C3C=C(C=C4)OCCC
InChI
InChI=1S/C25H30N2O3/c1-4-10-29-17-6-8-24-19(12-17)21(14-26-24)23(16-28-3)22-15-27-25-9-7-18(13-20(22)25)30-11-5-2/h6-9,12-15,23,26-27H,4-5,10-11,16H2,1-3H3
InChIKey
DHMYWLIRPAFLMM-UHFFFAOYSA-N
Compound name
3-[2-methoxy-1-(5-propoxy-1H-indol-3-yl)ethyl]-5-propoxy-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.22565 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.23293 201.4
[M+Na]+ 429.21487 209.2
[M-H]- 405.21837 205.5
[M+NH4]+ 424.25947 214.0
[M+K]+ 445.18881 202.4
[M+H-H2O]+ 389.22291 192.6
[M+HCOO]- 451.22385 219.6
[M+CH3COO]- 465.23950 210.3
[M+Na-2H]- 427.20032 200.9
[M]+ 406.22510 208.6
[M]- 406.22620 208.6
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.