CID 54683651

Schembl14129654

Structural Information

Molecular Formula
C19H13ClN2O4
SMILES
C1=CC(=CC(=C1)Cl)CN2C=CN3C=C(C(=O)C(=C3C2=O)O)C4=CC=CO4
InChI
InChI=1S/C19H13ClN2O4/c20-13-4-1-3-12(9-13)10-22-7-6-21-11-14(15-5-2-8-26-15)17(23)18(24)16(21)19(22)25/h1-9,11,24H,10H2
InChIKey
RXTCIVQSIYMYHR-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-7-(furan-2-yl)-9-hydroxypyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

368.0564 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06368 183.0
[M+Na]+ 391.04562 196.8
[M-H]- 367.04912 192.3
[M+NH4]+ 386.09022 194.6
[M+K]+ 407.01956 190.4
[M+H-H2O]+ 351.05366 173.8
[M+HCOO]- 413.05460 199.9
[M+CH3COO]- 427.07025 195.1
[M+Na-2H]- 389.03107 186.7
[M]+ 368.05585 190.7
[M]- 368.05695 190.7
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