CID 45599

63938-65-8

Structural Information

Molecular Formula
C24H31N3O2
SMILES
CC1=C(C=CC2=C1C(=C(N2)C)CCN3CCN(CC3)C4=CC=CC=C4OC)OC
InChI
InChI=1S/C24H31N3O2/c1-17-22(28-3)10-9-20-24(17)19(18(2)25-20)11-12-26-13-15-27(16-14-26)21-7-5-6-8-23(21)29-4/h5-10,25H,11-16H2,1-4H3
InChIKey
MLLMGIBLSRXERO-UHFFFAOYSA-N
Compound name
5-methoxy-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4-dimethyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.24164 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.248916 200.7
[M+Na]+ 416.230858 208.0
[M-H]- 392.234364 206.0
[M+NH4]+ 411.275463 210.2
[M+K]+ 432.204798 200.8
[M+H-H2O]+ 376.238900 189.4
[M+HCOO]- 438.239841 215.2
[M+CH3COO]- 452.255491 208.8
[M+Na-2H]- 414.216306 198.8
[M]+ 393.24109142 201.9
[M]- 393.24218858 201.9
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.