CID 3058231

Ethyl 4-(3-(methyl(3-phenyl-1h-indol-1-yl)amino)propyl)-1-piperazinecarboxylate hydrochloride

Structural Information

Molecular Formula
C25H32N4O2
SMILES
CCOC(=O)N1CCN(CC1)CCCN(C)N2C=C(C3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C25H32N4O2/c1-3-31-25(30)28-18-16-27(17-19-28)15-9-14-26(2)29-20-23(21-10-5-4-6-11-21)22-12-7-8-13-24(22)29/h4-8,10-13,20H,3,9,14-19H2,1-2H3
InChIKey
JGIOSDXUHCQYIT-UHFFFAOYSA-N
Compound name
ethyl 4-[3-[methyl-(3-phenylindol-1-yl)amino]propyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.25253 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.259806 205.0
[M+Na]+ 443.241748 208.7
[M-H]- 419.245254 211.7
[M+NH4]+ 438.286353 213.3
[M+K]+ 459.215688 203.4
[M+H-H2O]+ 403.249790 192.2
[M+HCOO]- 465.250731 221.4
[M+CH3COO]- 479.266381 212.3
[M+Na-2H]- 441.227196 204.3
[M]+ 420.25198142 206.1
[M]- 420.25307858 206.1
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.