CID 54683460

Schembl14129727

Structural Information

Molecular Formula
C19H15ClN4O3
SMILES
CN1C=CN=C1C2=CN3C=CN(C(=O)C3=C(C2=O)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H15ClN4O3/c1-22-6-5-21-18(22)14-11-23-7-8-24(10-12-3-2-4-13(20)9-12)19(27)15(23)17(26)16(14)25/h2-9,11,26H,10H2,1H3
InChIKey
HHEPKBMPMFOCQW-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-(1-methylimidazol-2-yl)pyrido[1,2-a]pyrazine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

382.08328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09056 189.1
[M+Na]+ 405.07250 203.5
[M-H]- 381.07600 195.3
[M+NH4]+ 400.11710 198.8
[M+K]+ 421.04644 194.9
[M+H-H2O]+ 365.08054 178.3
[M+HCOO]- 427.08148 203.8
[M+CH3COO]- 441.09713 199.9
[M+Na-2H]- 403.05795 191.4
[M]+ 382.08273 195.9
[M]- 382.08383 195.9
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