CID 10274600

Schembl5412542

Structural Information

Molecular Formula
C22H19ClN6O2
SMILES
C1CCC(C1)NC2=NC=CC(=N2)C3=C(N=C4N3C=CC=C4Cl)C5=CC(=CC=C5)[N+](=O)[O-]
InChI
InChI=1S/C22H19ClN6O2/c23-17-9-4-12-28-20(18-10-11-24-22(26-18)25-15-6-1-2-7-15)19(27-21(17)28)14-5-3-8-16(13-14)29(30)31/h3-5,8-13,15H,1-2,6-7H2,(H,24,25,26)
InChIKey
FTCYXGSDEVJSSB-UHFFFAOYSA-N
Compound name
4-[8-chloro-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

434.1258 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13308 199.7
[M+Na]+ 457.11502 205.9
[M-H]- 433.11852 208.8
[M+NH4]+ 452.15962 206.9
[M+K]+ 473.08896 194.2
[M+H-H2O]+ 417.12306 191.4
[M+HCOO]- 479.12400 215.0
[M+CH3COO]- 493.13965 222.4
[M+Na-2H]- 455.10047 203.1
[M]+ 434.12525 199.0
[M]- 434.12635 199.0
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