CID 506375

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

Structural Information

Molecular Formula
C19H16ClN5O3
SMILES
C1CN(CCN1C(=O)C2=NC=CN=C2)C(=O)C(=O)C3=CNC4=C3C(=CC=C4)Cl
InChI
InChI=1S/C19H16ClN5O3/c20-13-2-1-3-14-16(13)12(10-23-14)17(26)19(28)25-8-6-24(7-9-25)18(27)15-11-21-4-5-22-15/h1-5,10-11,23H,6-9H2
InChIKey
OQGQLVLZROKIAQ-UHFFFAOYSA-N
Compound name
1-(4-chloro-1H-indol-3-yl)-2-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.09418 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.10146 188.9
[M+Na]+ 420.08340 196.0
[M-H]- 396.08690 191.6
[M+NH4]+ 415.12800 194.9
[M+K]+ 436.05734 188.9
[M+H-H2O]+ 380.09144 177.1
[M+HCOO]- 442.09238 195.5
[M+CH3COO]- 456.10803 196.0
[M+Na-2H]- 418.06885 188.7
[M]+ 397.09363 187.9
[M]- 397.09473 187.9
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.