CID 71263684

Apto-253 hcl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 187.1
[M+Na]+ 390.11254 202.5
[M-H]- 366.11604 190.3
[M+NH4]+ 385.15714 199.4
[M+K]+ 406.08648 190.9
[M+H-H2O]+ 350.12058 176.0
[M+HCOO]- 412.12152 202.3
[M+CH3COO]- 426.13717 197.1
[M+Na-2H]- 388.09799 192.1
[M]+ 367.12277 190.3
[M]- 367.12387 190.3
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