CID 506344

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

Structural Information

Molecular Formula
C17H16FN5O3S
SMILES
C1CN(CCN1C(=O)C(=O)C2=CNC3=C2C(=CC=C3)F)C(=O)N4NC=CS4
InChI
InChI=1S/C17H16FN5O3S/c18-12-2-1-3-13-14(12)11(10-19-13)15(24)16(25)21-5-7-22(8-6-21)17(26)23-20-4-9-27-23/h1-4,9-10,19-20H,5-8H2
InChIKey
XBDPDNZZAMFHKE-UHFFFAOYSA-N
Compound name
1-(4-fluoro-1H-indol-3-yl)-2-[4-(3H-thiadiazole-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0958 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.10308 186.5
[M+Na]+ 412.08502 193.4
[M-H]- 388.08852 187.8
[M+NH4]+ 407.12962 194.6
[M+K]+ 428.05896 187.5
[M+H-H2O]+ 372.09306 177.5
[M+HCOO]- 434.09400 191.6
[M+CH3COO]- 448.10965 193.5
[M+Na-2H]- 410.07047 181.0
[M]+ 389.09525 182.9
[M]- 389.09635 182.9
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.