CID 11960271

Apto-253

Structural Information

Molecular Formula
C22H14FN5
SMILES
CC1=C(C2=C(N1)C=CC(=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6
InChI
InChI=1S/C22H14FN5/c1-11-17(15-10-12(23)6-7-16(15)26-11)22-27-20-13-4-2-8-24-18(13)19-14(21(20)28-22)5-3-9-25-19/h2-10,26H,1H3,(H,27,28)
InChIKey
NIRXBXIPHUTNNI-UHFFFAOYSA-N
Compound name
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

89
Patents

367.12332 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13060 187.4
[M+Na]+ 390.11254 206.7
[M+NH4]+ 385.15714 195.4
[M+K]+ 406.08648 200.4
[M-H]- 366.11604 190.6
[M+Na-2H]- 388.09799 194.7
[M]+ 367.12277 191.4
[M]- 367.12387 191.4
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