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]+ 421.25981 205.0
[M+Na]+ 443.24175 208.7
[M-H]- 419.24525 211.7
[M+NH4]+ 438.28635 213.3
[M+K]+ 459.21569 203.4
[M+H-H2O]+ 403.24979 192.2
[M+HCOO]- 465.25073 221.4
[M+CH3COO]- 479.26638 212.3
[M+Na-2H]- 441.22720 204.3
[M]+ 420.25198 206.1
[M]- 420.25308 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.