CID 365933

Nsc634077

Structural Information

Molecular Formula
C17H10FN3
SMILES
C1=CC=C2C(=C1)C3=C4C(=NC=C3N2)C5=C(N4)C(=CC=C5)F
InChI
InChI=1S/C17H10FN3/c18-11-6-3-5-10-15(11)21-17-14-9-4-1-2-7-12(9)20-13(14)8-19-16(10)17/h1-8,20-21H
InChIKey
LTPWDGXYTFFGGA-UHFFFAOYSA-N
Compound name
18-fluoro-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

275.08588 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09316 158.4
[M+Na]+ 298.07510 173.5
[M-H]- 274.07860 160.6
[M+NH4]+ 293.11970 177.6
[M+K]+ 314.04904 164.0
[M+H-H2O]+ 258.08314 150.1
[M+HCOO]- 320.08408 177.3
[M+CH3COO]- 334.09973 171.0
[M+Na-2H]- 296.06055 166.2
[M]+ 275.08533 160.9
[M]- 275.08643 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe