CID 3075500

1h-indole-2-carboxylic acid, 1-methyl-3-(2-oxo-2-((3-(4-phenyl-1-piperazinyl)propyl)amino)ethyl)-

Structural Information

Molecular Formula
C25H30N4O3
SMILES
CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C25H30N4O3/c1-27-22-11-6-5-10-20(22)21(24(27)25(31)32)18-23(30)26-12-7-13-28-14-16-29(17-15-28)19-8-3-2-4-9-19/h2-6,8-11H,7,12-18H2,1H3,(H,26,30)(H,31,32)
InChIKey
ZIPQZGGCFLRWFP-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-oxo-2-[3-(4-phenylpiperazin-1-yl)propylamino]ethyl]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.23178 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.23906 207.2
[M+Na]+ 457.22100 218.7
[M+NH4]+ 452.26560 212.1
[M+K]+ 473.19494 213.8
[M-H]- 433.22450 210.8
[M+Na-2H]- 455.20645 212.5
[M]+ 434.23123 209.5
[M]- 434.23233 209.5
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.