CID 505842

Schembl19456417

Structural Information

Molecular Formula
C14H6FN3O2
SMILES
C1=CC2=C(C=C1F)C(=O)C3=NC4=C(C=CN=C4)C(=O)N23
InChI
InChI=1S/C14H6FN3O2/c15-7-1-2-11-9(5-7)12(19)13-17-10-6-16-4-3-8(10)14(20)18(11)13/h1-6H
InChIKey
DWTQDKNQANBSGD-UHFFFAOYSA-N
Compound name
14-fluoro-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

267.0444 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05168 156.7
[M+Na]+ 290.03362 170.9
[M-H]- 266.03712 159.3
[M+NH4]+ 285.07822 174.5
[M+K]+ 306.00756 164.4
[M+H-H2O]+ 250.04166 147.2
[M+HCOO]- 312.04260 175.2
[M+CH3COO]- 326.05825 169.5
[M+Na-2H]- 288.01907 163.8
[M]+ 267.04385 159.2
[M]- 267.04495 159.2
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