CID 137656354

Chembl4106221

Structural Information

Molecular Formula
C22H16FN5O
SMILES
C1=CC(=CC(=C1)C2(C3=C(C(=CC=C3)F)C(=N2)N)C4=CC=NC=C4)C5=CN=CN5O
InChI
InChI=1S/C22H16FN5O/c23-18-6-2-5-17-20(18)21(24)27-22(17,15-7-9-25-10-8-15)16-4-1-3-14(11-16)19-12-26-13-28(19)29/h1-13,29H,(H2,24,27)
InChIKey
NHOIYRIYXINORZ-UHFFFAOYSA-N
Compound name
7-fluoro-3-[3-(3-hydroxyimidazol-4-yl)phenyl]-3-pyridin-4-ylisoindol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.13388 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14116 188.4
[M+Na]+ 408.12310 199.4
[M-H]- 384.12660 196.2
[M+NH4]+ 403.16770 199.6
[M+K]+ 424.09704 190.7
[M+H-H2O]+ 368.13114 176.1
[M+HCOO]- 430.13208 206.7
[M+CH3COO]- 444.14773 198.1
[M+Na-2H]- 406.10855 190.0
[M]+ 385.13333 187.2
[M]- 385.13443 187.2
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

No patent data available for this compound.