CID 507934

Chembl2315669

Structural Information

Molecular Formula
C24H24FN5O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C(=O)NCCN
InChI
InChI=1S/C24H24FN5O4/c25-18-7-6-16(22(32)27-9-8-26)20-19(18)17(14-28-20)21(31)24(34)30-12-10-29(11-13-30)23(33)15-4-2-1-3-5-15/h1-7,14,28H,8-13,26H2,(H,27,32)
InChIKey
XNUGCUDSMXLAND-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

465.18124 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.18852 207.5
[M+Na]+ 488.17046 210.6
[M-H]- 464.17396 210.9
[M+NH4]+ 483.21506 211.7
[M+K]+ 504.14440 204.9
[M+H-H2O]+ 448.17850 195.7
[M+HCOO]- 510.17944 219.7
[M+CH3COO]- 524.19509 236.6
[M+Na-2H]- 486.15591 204.2
[M]+ 465.18069 202.5
[M]- 465.18179 202.5
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.