CID 506276

1-[(2r)-4-(4-aminobenzoyl)-2-methyl-piperazin-1-yl]-2-(4-fluoro-7-methoxy-1h-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C23H23FN4O4
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)OC)C(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C23H23FN4O4/c1-13-12-27(22(30)14-3-5-15(25)6-4-14)9-10-28(13)23(31)21(29)16-11-26-20-18(32-2)8-7-17(24)19(16)20/h3-8,11,13,26H,9-10,12,25H2,1-2H3/t13-/m1/s1
InChIKey
OTOVUOMVPHAHMB-CYBMUJFWSA-N
Compound name
1-[(2R)-4-(4-aminobenzoyl)-2-methylpiperazin-1-yl]-2-(4-fluoro-7-methoxy-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.17032 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17760 204.3
[M+Na]+ 461.15954 210.6
[M-H]- 437.16304 208.5
[M+NH4]+ 456.20414 210.7
[M+K]+ 477.13348 204.7
[M+H-H2O]+ 421.16758 193.0
[M+HCOO]- 483.16852 216.4
[M+CH3COO]- 497.18417 231.3
[M+Na-2H]- 459.14499 199.7
[M]+ 438.16977 201.7
[M]- 438.17087 201.7
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.