CID 10111880

Schembl5410256

Structural Information

Molecular Formula
C22H21ClN6
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4Cl)C5=CC(=CC=C5)N
InChI
InChI=1S/C22H21ClN6/c23-17-9-4-12-29-20(19(28-21(17)29)14-5-3-6-15(24)13-14)18-10-11-25-22(27-18)26-16-7-1-2-8-16/h3-6,9-13,16H,1-2,7-8,24H2,(H,25,26,27)
InChIKey
NMRKSOZKKZYDSI-UHFFFAOYSA-N
Compound name
4-[2-(3-aminophenyl)-8-chloroimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

404.1516 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15888 194.3
[M+Na]+ 427.14082 203.4
[M-H]- 403.14432 203.1
[M+NH4]+ 422.18542 203.9
[M+K]+ 443.11476 194.1
[M+H-H2O]+ 387.14886 182.0
[M+HCOO]- 449.14980 209.6
[M+CH3COO]- 463.16545 203.2
[M+Na-2H]- 425.12627 194.8
[M]+ 404.15105 194.2
[M]- 404.15215 194.2
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