CID 506217

[6-acetoxy-3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-1h-indol-5-yl] acetate

Structural Information

Molecular Formula
C25H23N3O7
SMILES
CC(=O)OC1=C(C=C2C(=C1)C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)OC(=O)C
InChI
InChI=1S/C25H23N3O7/c1-15(29)34-21-12-18-19(14-26-20(18)13-22(21)35-16(2)30)23(31)25(33)28-10-8-27(9-11-28)24(32)17-6-4-3-5-7-17/h3-7,12-14,26H,8-11H2,1-2H3
InChIKey
MTGVFRHYYQAAFR-UHFFFAOYSA-N
Compound name
[6-acetyloxy-3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-1H-indol-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.1536 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.16088 207.9
[M+Na]+ 500.14282 211.4
[M-H]- 476.14632 213.2
[M+NH4]+ 495.18742 212.1
[M+K]+ 516.11676 208.5
[M+H-H2O]+ 460.15086 197.4
[M+HCOO]- 522.15180 218.9
[M+CH3COO]- 536.16745 233.0
[M+Na-2H]- 498.12827 203.5
[M]+ 477.15305 209.0
[M]- 477.15415 209.0
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.