CID 153425540

Aru8kzs3s9

Structural Information

Molecular Formula
C20H15FN4O
SMILES
C1CC1N2CCN3C4=C(C(=C3C2=O)C5=CC(=C(C=C5)C#N)[18F])N=CC=C4
InChI
InChI=1S/C20H15FN4O/c21-15-10-12(3-4-13(15)11-22)17-18-16(2-1-7-23-18)25-9-8-24(14-5-6-14)20(26)19(17)25/h1-4,7,10,14H,5-6,8-9H2/i21-1
InChIKey
YWTCDMZVTLNYLN-GJQNQZCXSA-N
Compound name
4-(11-cyclopropyl-10-oxo-1,6,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-8-yl)-2-(18F)fluoranylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

345.12552 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13280 188.6
[M+Na]+ 368.11474 204.3
[M+NH4]+ 363.15934 193.4
[M+K]+ 384.08868 195.1
[M-H]- 344.11824 190.9
[M+Na-2H]- 366.10019 193.8
[M]+ 345.12497 191.8
[M]- 345.12607 191.8
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