CID 455395

Chembl7437

Structural Information

Molecular Formula
C22H25FN4O
SMILES
CC(C)NC1=C(C=C(C=C1)F)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C22H25FN4O/c1-15(2)24-19-8-7-17(23)14-21(19)26-9-11-27(12-10-26)22(28)20-13-16-5-3-4-6-18(16)25-20/h3-8,13-15,24-25H,9-12H2,1-2H3
InChIKey
GATRPSGBWAIHAN-UHFFFAOYSA-N
Compound name
[4-[5-fluoro-2-(propan-2-ylamino)phenyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.20123 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20851 192.0
[M+Na]+ 403.19045 197.5
[M-H]- 379.19395 195.8
[M+NH4]+ 398.23505 201.0
[M+K]+ 419.16439 190.1
[M+H-H2O]+ 363.19849 180.1
[M+HCOO]- 425.19943 205.3
[M+CH3COO]- 439.21508 199.3
[M+Na-2H]- 401.17590 190.8
[M]+ 380.20068 187.0
[M]- 380.20178 187.0
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.