CID 54683513

Schembl14129923

Structural Information

Molecular Formula
C19H15ClN4O3
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C3=NC=CN=C3)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H15ClN4O3/c20-13-3-1-2-12(8-13)10-24-7-6-23-11-14(15-9-21-4-5-22-15)17(25)18(26)16(23)19(24)27/h1-5,8-9,11,26H,6-7,10H2
InChIKey
UUVZZKZSFLXFGX-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methyl]-9-hydroxy-7-pyrazin-2-yl-3,4-dihydropyrido[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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09056 190.2
[M+Na]+ 405.07250 200.8
[M-H]- 381.07600 194.3
[M+NH4]+ 400.11710 197.2
[M+K]+ 421.04644 192.5
[M+H-H2O]+ 365.08054 178.0
[M+HCOO]- 427.08148 199.8
[M+CH3COO]- 441.09713 198.7
[M+Na-2H]- 403.05795 193.6
[M]+ 382.08273 191.4
[M]- 382.08383 191.4
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

No patent data available for this compound.