CID 506274

1-[(2r)-4-(3-aminobenzoyl)-2-methyl-piperazin-1-yl]-2-(4-methoxy-1h-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C23H24N4O4
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C2C(=CC=C3)OC)C(=O)C4=CC(=CC=C4)N
InChI
InChI=1S/C23H24N4O4/c1-14-13-26(22(29)15-5-3-6-16(24)11-15)9-10-27(14)23(30)21(28)17-12-25-18-7-4-8-19(31-2)20(17)18/h3-8,11-12,14,25H,9-10,13,24H2,1-2H3/t14-/m1/s1
InChIKey
IYXXINLYRYMYCT-CQSZACIVSA-N
Compound name
1-[(2R)-4-(3-aminobenzoyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.17975 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.18703 200.6
[M+Na]+ 443.16897 205.9
[M-H]- 419.17247 205.8
[M+NH4]+ 438.21357 207.5
[M+K]+ 459.14291 200.5
[M+H-H2O]+ 403.17701 190.0
[M+HCOO]- 465.17795 213.9
[M+CH3COO]- 479.19360 227.3
[M+Na-2H]- 441.15442 197.4
[M]+ 420.17920 198.5
[M]- 420.18030 198.5
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.