CID 3075496

1h-indole-2-carboxylic acid, 3-(2-((2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)amino)-2-oxoethyl)-

Structural Information

Molecular Formula
C23H25ClN4O3
SMILES
C1CN(CCN1CCNC(=O)CC2=C(NC3=CC=CC=C32)C(=O)O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H25ClN4O3/c24-16-4-3-5-17(14-16)28-12-10-27(11-13-28)9-8-25-21(29)15-19-18-6-1-2-7-20(18)26-22(19)23(30)31/h1-7,14,26H,8-13,15H2,(H,25,29)(H,30,31)
InChIKey
VIDRNYZGJGFGQK-UHFFFAOYSA-N
Compound name
3-[2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

440.16153 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.16881 202.9
[M+Na]+ 463.15075 207.9
[M-H]- 439.15425 206.4
[M+NH4]+ 458.19535 209.4
[M+K]+ 479.12469 199.9
[M+H-H2O]+ 423.15879 192.3
[M+HCOO]- 485.15973 211.4
[M+CH3COO]- 499.17538 209.1
[M+Na-2H]- 461.13620 201.6
[M]+ 440.16098 201.9
[M]- 440.16208 201.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.