CID 54683519

Schembl4328300

Structural Information

Molecular Formula
C18H18ClN3O4
SMILES
CN(C)C(=O)C1=CN2CCN(C(=O)C2=C(C1=O)O)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H18ClN3O4/c1-20(2)17(25)13-10-21-6-7-22(9-11-4-3-5-12(19)8-11)18(26)14(21)16(24)15(13)23/h3-5,8,10,24H,6-7,9H2,1-2H3
InChIKey
KYLMBNQYJRRYQD-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

375.09857 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10585 183.9
[M+Na]+ 398.08779 193.1
[M-H]- 374.09129 189.3
[M+NH4]+ 393.13239 195.1
[M+K]+ 414.06173 188.3
[M+H-H2O]+ 358.09583 175.2
[M+HCOO]- 420.09677 196.8
[M+CH3COO]- 434.11242 221.1
[M+Na-2H]- 396.07324 184.9
[M]+ 375.09802 187.6
[M]- 375.09912 187.6
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