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

literature stripe

Patent stripe

patents stripe