CID 53088

Indole, 1-((3-(4-benzyl-1-piperazinyl)propyl)methylamino)-3-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C29H34N4
SMILES
CN(CCCN1CCN(CC1)CC2=CC=CC=C2)N3C=C(C4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C29H34N4/c1-30(17-10-18-31-19-21-32(22-20-31)23-25-11-4-2-5-12-25)33-24-28(26-13-6-3-7-14-26)27-15-8-9-16-29(27)33/h2-9,11-16,24H,10,17-23H2,1H3
InChIKey
UMLDBNPYPKTLQR-UHFFFAOYSA-N
Compound name
N-[3-(4-benzylpiperazin-1-yl)propyl]-N-methyl-3-phenylindol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.27835 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.28563 210.3
[M+Na]+ 461.26757 213.6
[M-H]- 437.27107 219.3
[M+NH4]+ 456.31217 217.1
[M+K]+ 477.24151 205.3
[M+H-H2O]+ 421.27561 195.7
[M+HCOO]- 483.27655 226.6
[M+CH3COO]- 497.29220 216.8
[M+Na-2H]- 459.25302 210.4
[M]+ 438.27780 208.3
[M]- 438.27890 208.3
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.