CID 15955003

Schembl6266860

Structural Information

Molecular Formula
C19H16ClN5O
SMILES
CCOC1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4Cl
InChI
InChI=1S/C19H16ClN5O/c1-2-26-14-9-7-13(8-10-14)24-18-15-11-23-25(19(15)22-12-21-18)17-6-4-3-5-16(17)20/h3-12H,2H2,1H3,(H,21,22,24)
InChIKey
PIUSKKVFSPOYSG-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

365.10434 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11162 184.6
[M+Na]+ 388.09356 195.8
[M-H]- 364.09706 190.6
[M+NH4]+ 383.13816 194.7
[M+K]+ 404.06750 187.5
[M+H-H2O]+ 348.10160 172.5
[M+HCOO]- 410.10254 201.2
[M+CH3COO]- 424.11819 194.8
[M+Na-2H]- 386.07901 190.4
[M]+ 365.10379 189.9
[M]- 365.10489 189.9
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