CID 54683568

Schembl4320191

Structural Information

Molecular Formula
C19H15ClN2O3
SMILES
C1CN2C3=CC=CC=C3C(=O)C(=C2C(=O)N1CC4=CC(=CC=C4)Cl)O
InChI
InChI=1S/C19H15ClN2O3/c20-13-5-3-4-12(10-13)11-21-8-9-22-15-7-2-1-6-14(15)17(23)18(24)16(22)19(21)25/h1-7,10,24H,8-9,11H2
InChIKey
WHEYAUUCWZLNJI-UHFFFAOYSA-N
Compound name
3-[(3-chlorophenyl)methyl]-5-hydroxy-1,2-dihydropyrazino[1,2-a]quinoline-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

354.07712 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08440 180.8
[M+Na]+ 377.06634 191.7
[M-H]- 353.06984 185.4
[M+NH4]+ 372.11094 193.3
[M+K]+ 393.04028 184.0
[M+H-H2O]+ 337.07438 171.2
[M+HCOO]- 399.07532 191.8
[M+CH3COO]- 413.09097 190.8
[M+Na-2H]- 375.05179 185.0
[M]+ 354.07657 182.6
[M]- 354.07767 182.6
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

patents stripe