CID 3075498

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

Structural Information

Molecular Formula
C24H28N4O3
SMILES
CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H28N4O3/c1-26-21-10-6-5-9-19(21)20(23(26)24(30)31)17-22(29)25-11-12-27-13-15-28(16-14-27)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,25,29)(H,30,31)
InChIKey
LPQSNLJWGQDBIE-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)ethylamino]ethyl]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.21616 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.22344 202.9
[M+Na]+ 443.20538 214.6
[M+NH4]+ 438.24998 207.9
[M+K]+ 459.17932 209.8
[M-H]- 419.20888 206.5
[M+Na-2H]- 441.19083 208.4
[M]+ 420.21561 205.2
[M]- 420.21671 205.2
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.