CID 54698270

Schembl2203818

Structural Information

Molecular Formula
C16H17FN4O3
SMILES
CC1C2=NC(=C(C(=O)N2CCN1)O)C(=O)NCC3=CC=C(C=C3)F
InChI
InChI=1S/C16H17FN4O3/c1-9-14-20-12(13(22)16(24)21(14)7-6-18-9)15(23)19-8-10-2-4-11(17)5-3-10/h2-5,9,18,22H,6-8H2,1H3,(H,19,23)
InChIKey
QMWZRMSYUODOHQ-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

332.12848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13576 177.4
[M+Na]+ 355.11770 185.3
[M-H]- 331.12120 177.3
[M+NH4]+ 350.16230 186.5
[M+K]+ 371.09164 179.0
[M+H-H2O]+ 315.12574 166.8
[M+HCOO]- 377.12668 190.6
[M+CH3COO]- 391.14233 208.9
[M+Na-2H]- 353.10315 179.9
[M]+ 332.12793 173.4
[M]- 332.12903 173.4
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

patents stripe