CID 506382

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

Structural Information

Molecular Formula
C18H15ClN4O3S
SMILES
C1CN(CCN1C(=O)C2=CSC=N2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)Cl
InChI
InChI=1S/C18H15ClN4O3S/c19-12-2-1-3-13-15(12)11(8-20-13)16(24)18(26)23-6-4-22(5-7-23)17(25)14-9-27-10-21-14/h1-3,8-10,20H,4-7H2
InChIKey
MVQWZBAPZNCEAZ-UHFFFAOYSA-N
Compound name
1-(4-chloro-1H-indol-3-yl)-2-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.05533 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.06261 190.1
[M+Na]+ 425.04455 198.4
[M-H]- 401.04805 195.5
[M+NH4]+ 420.08915 200.7
[M+K]+ 441.01849 192.5
[M+H-H2O]+ 385.05259 182.2
[M+HCOO]- 447.05353 195.3
[M+CH3COO]- 461.06918 198.6
[M+Na-2H]- 423.03000 185.5
[M]+ 402.05478 192.3
[M]- 402.05588 192.3
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.