CID 90421424

1628264-39-0

Structural Information

Molecular Formula
C21H17BrFN5S
SMILES
CCC1=C(N2C=C(C=C(C2=N1)C)Br)N(C)C3=NC(=C(S3)C#N)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H17BrFN5S/c1-4-16-20(28-11-14(22)9-12(2)19(28)25-16)27(3)21-26-18(17(10-24)29-21)13-5-7-15(23)8-6-13/h5-9,11H,4H2,1-3H3
InChIKey
NHKQHDXVPCPCFY-UHFFFAOYSA-N
Compound name
2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

469.0372 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.04448 194.5
[M+Na]+ 492.02642 200.1
[M+NH4]+ 487.07102 195.7
[M+K]+ 508.00036 196.0
[M-H]- 468.02992 190.7
[M+Na-2H]- 490.01187 196.1
[M]+ 469.03665 193.0
[M]- 469.03775 193.0
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

patents stripe