CID 506390

1-(4-fluoro-1h-indol-3-yl)-2-[4-(1h-imidazole-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C18H16FN5O3
SMILES
C1CN(CCN1C(=O)C2=NC=CN2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)F
InChI
InChI=1S/C18H16FN5O3/c19-12-2-1-3-13-14(12)11(10-22-13)15(25)17(26)23-6-8-24(9-7-23)18(27)16-20-4-5-21-16/h1-5,10,22H,6-9H2,(H,20,21)
InChIKey
YBJZESUYYHTBPG-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1H-imidazole-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13100 183.2
[M+Na]+ 392.11294 189.6
[M-H]- 368.11644 184.4
[M+NH4]+ 387.15754 190.9
[M+K]+ 408.08688 183.5
[M+H-H2O]+ 352.12098 172.1
[M+HCOO]- 414.12192 193.5
[M+CH3COO]- 428.13757 190.4
[M+Na-2H]- 390.09839 179.9
[M]+ 369.12317 178.2
[M]- 369.12427 178.2
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.