CID 54705365

Schembl14129917

Structural Information

Molecular Formula
C19H15FN4O3
SMILES
C1CN(C(=O)C2=C(C(=O)C(=CN21)C3=NC=CN=C3)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H15FN4O3/c20-13-3-1-12(2-4-13)10-24-8-7-23-11-14(15-9-21-5-6-22-15)17(25)18(26)16(23)19(24)27/h1-6,9,11,26H,7-8,10H2
InChIKey
VRYJJFDHPVLPMS-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)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

366.11282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12010 189.1
[M+Na]+ 389.10204 199.2
[M-H]- 365.10554 192.2
[M+NH4]+ 384.14664 195.8
[M+K]+ 405.07598 191.3
[M+H-H2O]+ 349.11008 175.7
[M+HCOO]- 411.11102 202.2
[M+CH3COO]- 425.12667 197.4
[M+Na-2H]- 387.08749 192.2
[M]+ 366.11227 187.1
[M]- 366.11337 187.1
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.