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
2
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]+ 368.130596 187.1
[M+Na]+ 390.112538 202.5
[M-H]- 366.116044 190.3
[M+NH4]+ 385.157143 199.4
[M+K]+ 406.086478 190.9
[M+H-H2O]+ 350.120580 176.0
[M+HCOO]- 412.121521 202.3
[M+CH3COO]- 426.137171 197.1
[M+Na-2H]- 388.097986 192.1
[M]+ 367.12277142 190.3
[M]- 367.12386858 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