CID 54686301

Schembl2205142

Structural Information

Molecular Formula
C17H19FN4O3
SMILES
CC1C2=NC(=C(C(=O)N2CCN1C)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C17H19FN4O3/c1-10-15-20-13(14(23)17(25)22(15)8-7-21(10)2)16(24)19-9-11-3-5-12(18)6-4-11/h3-6,10,23H,7-9H2,1-2H3,(H,19,24)
InChIKey
GNFWGIULJRGOSA-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-8,9-dimethyl-4-oxo-7,9-dihydro-6H-pyrazino[1,2-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

346.1441 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15138 182.5
[M+Na]+ 369.13332 191.3
[M-H]- 345.13682 183.9
[M+NH4]+ 364.17792 192.0
[M+K]+ 385.10726 185.6
[M+H-H2O]+ 329.14136 171.6
[M+HCOO]- 391.14230 196.8
[M+CH3COO]- 405.15795 215.3
[M+Na-2H]- 367.11877 184.1
[M]+ 346.14355 181.0
[M]- 346.14465 181.0
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