CID 507926

3-[[(2r)-4-benzoyl-2-methylpiperazin-1-yl](oxo)acetyl]-4-fluoro-n-(2-morpholin-4-ylethyl)-1h-indole-7-carboxamide-

Structural Information

Molecular Formula
C29H32FN5O5
SMILES
C[C@@H]1CN(CCN1C(=O)C(=O)C2=CNC3=C(C=CC(=C23)F)C(=O)NCCN4CCOCC4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H32FN5O5/c1-19-18-34(28(38)20-5-3-2-4-6-20)11-12-35(19)29(39)26(36)22-17-32-25-21(7-8-23(30)24(22)25)27(37)31-9-10-33-13-15-40-16-14-33/h2-8,17,19,32H,9-16,18H2,1H3,(H,31,37)/t19-/m1/s1
InChIKey
OQJUKYVVUGNFHW-LJQANCHMSA-N
Compound name
3-[2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-oxoacetyl]-4-fluoro-N-(2-morpholin-4-ylethyl)-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

549.2388 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.24608 229.3
[M+Na]+ 572.22802 229.9
[M-H]- 548.23152 234.3
[M+NH4]+ 567.27262 227.1
[M+K]+ 588.20196 225.0
[M+H-H2O]+ 532.23606 215.5
[M+HCOO]- 594.23700 233.9
[M+CH3COO]- 608.25265 231.8
[M+Na-2H]- 570.21347 222.6
[M]+ 549.23825 223.5
[M]- 549.23935 223.5
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

patents stripe