CID 135413517

Pyriferone

Structural Information

Molecular Formula
C13H12FN3O
SMILES
C1CC2=C(C=C(C=C2)F)C3=C(C1)C(=O)NC(=N3)N
InChI
InChI=1S/C13H12FN3O/c14-8-5-4-7-2-1-3-9-11(10(7)6-8)16-13(15)17-12(9)18/h4-6H,1-3H2,(H3,15,16,17,18)
InChIKey
LWUVBYCZHFSOKJ-UHFFFAOYSA-N
Compound name
4-amino-14-fluoro-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,12,14-pentaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

245.09644 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10372 150.4
[M+Na]+ 268.08566 159.9
[M-H]- 244.08916 152.4
[M+NH4]+ 263.13026 165.9
[M+K]+ 284.05960 158.4
[M+H-H2O]+ 228.09370 142.7
[M+HCOO]- 290.09464 167.3
[M+CH3COO]- 304.11029 161.6
[M+Na-2H]- 266.07111 157.2
[M]+ 245.09589 144.2
[M]- 245.09699 144.2
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