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]+ 394.24892 200.7
[M+Na]+ 416.23086 208.0
[M-H]- 392.23436 206.0
[M+NH4]+ 411.27546 210.2
[M+K]+ 432.20480 200.8
[M+H-H2O]+ 376.23890 189.4
[M+HCOO]- 438.23984 215.2
[M+CH3COO]- 452.25549 208.8
[M+Na-2H]- 414.21631 198.8
[M]+ 393.24109 201.9
[M]- 393.24219 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.