CID 59473233

Entospletinib

Structural Information

Molecular Formula
C23H21N7O
SMILES
C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6
InChI
InChI=1S/C23H21N7O/c1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29/h1-8,13-15H,9-12H2,(H,25,28)(H,26,27)
InChIKey
XSMSNFMDVXXHGJ-UHFFFAOYSA-N
Compound name
6-(1H-indazol-6-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

49
References

1856
Patents

411.18076 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.18804 191.8
[M+Na]+ 434.16998 200.5
[M-H]- 410.17348 199.0
[M+NH4]+ 429.21458 196.5
[M+K]+ 450.14392 192.2
[M+H-H2O]+ 394.17802 178.7
[M+HCOO]- 456.17896 205.5
[M+CH3COO]- 470.19461 199.5
[M+Na-2H]- 432.15543 195.1
[M]+ 411.18021 190.6
[M]- 411.18131 190.6
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.