CID 506381

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

Structural Information

Molecular Formula
C19H17ClN4O3S
SMILES
CC1=NC(=CS1)C(=O)N2CCN(CC2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)Cl
InChI
InChI=1S/C19H17ClN4O3S/c1-11-22-15(10-28-11)18(26)23-5-7-24(8-6-23)19(27)17(25)12-9-21-14-4-2-3-13(20)16(12)14/h2-4,9-10,21H,5-8H2,1H3
InChIKey
NBBPIBKLBMKHAR-UHFFFAOYSA-N
Compound name
1-(4-chloro-1H-indol-3-yl)-2-[4-(2-methyl-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

416.07098 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.07826 194.9
[M+Na]+ 439.06020 203.6
[M-H]- 415.06370 200.4
[M+NH4]+ 434.10480 205.1
[M+K]+ 455.03414 197.3
[M+H-H2O]+ 399.06824 187.1
[M+HCOO]- 461.06918 199.7
[M+CH3COO]- 475.08483 203.3
[M+Na-2H]- 437.04565 189.1
[M]+ 416.07043 197.8
[M]- 416.07153 197.8
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.