CID 3011069

Schembl6408303

Structural Information

Molecular Formula
C15H13FN2O4
SMILES
C1CN(C(=O)C2=C(C(=CN21)C(=O)O)O)CC3=CC=C(C=C3)F
InChI
InChI=1S/C15H13FN2O4/c16-10-3-1-9(2-4-10)7-18-6-5-17-8-11(15(21)22)13(19)12(17)14(18)20/h1-4,8,19H,5-7H2,(H,21,22)
InChIKey
ZCZFDYZVYXZCQP-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)methyl]-8-hydroxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

304.08594 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09322 166.6
[M+Na]+ 327.07516 175.5
[M-H]- 303.07866 168.3
[M+NH4]+ 322.11976 180.4
[M+K]+ 343.04910 170.6
[M+H-H2O]+ 287.08320 158.2
[M+HCOO]- 349.08414 181.7
[M+CH3COO]- 363.09979 200.2
[M+Na-2H]- 325.06061 166.6
[M]+ 304.08539 164.8
[M]- 304.08649 164.8
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