CID 54683614

Schembl4319296

Structural Information

Molecular Formula
C19H18ClN3O4
SMILES
CN(C)C(=O)CC1=CN2C=CN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H18ClN3O4/c1-21(2)15(24)9-13-11-22-6-7-23(10-12-4-3-5-14(20)8-12)19(27)16(22)18(26)17(13)25/h3-8,11,26H,9-10H2,1-2H3
InChIKey
CGSDRAFHFWJUAJ-UHFFFAOYSA-N
Compound name
2-[2-[(3-chlorophenyl)methyl]-9-hydroxy-1,8-dioxopyrido[1,2-a]pyrazin-7-yl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

387.09857 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10585 187.1
[M+Na]+ 410.08779 197.8
[M-H]- 386.09129 193.0
[M+NH4]+ 405.13239 197.9
[M+K]+ 426.06173 192.4
[M+H-H2O]+ 370.09583 177.9
[M+HCOO]- 432.09677 202.4
[M+CH3COO]- 446.11242 223.3
[M+Na-2H]- 408.07324 189.4
[M]+ 387.09802 193.9
[M]- 387.09912 193.9
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

patents stripe