CID 10862355

Chembl109331

Structural Information

Molecular Formula
C23H21FN4S
SMILES
C[C@H](C1=CC=CC=C1)NC2=NC=CC(=C2)C3=C(NC(=N3)SC)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H21FN4S/c1-15(16-6-4-3-5-7-16)26-20-14-18(12-13-25-20)22-21(27-23(28-22)29-2)17-8-10-19(24)11-9-17/h3-15H,1-2H3,(H,25,26)(H,27,28)/t15-/m1/s1
InChIKey
VXPWQNBKEIVYIS-OAHLLOKOSA-N
Compound name
4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]-N-[(1R)-1-phenylethyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

404.1471 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15438 193.9
[M+Na]+ 427.13632 202.2
[M-H]- 403.13982 200.8
[M+NH4]+ 422.18092 202.0
[M+K]+ 443.11026 192.7
[M+H-H2O]+ 387.14436 182.5
[M+HCOO]- 449.14530 207.5
[M+CH3COO]- 463.16095 202.3
[M+Na-2H]- 425.12177 192.8
[M]+ 404.14655 193.3
[M]- 404.14765 193.3
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

No patent data available for this compound.