CID 15954998

Schembl6270343

Structural Information

Molecular Formula
C19H15Cl2N5O
SMILES
CCOC1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C19H15Cl2N5O/c1-2-27-14-6-4-13(5-7-14)25-18-15-10-24-26(19(15)23-11-22-18)17-8-3-12(20)9-16(17)21/h3-11H,2H2,1H3,(H,22,23,25)
InChIKey
OICVCZQXXDAPKT-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

399.06537 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.07265 190.8
[M+Na]+ 422.05459 202.9
[M-H]- 398.05809 196.1
[M+NH4]+ 417.09919 200.2
[M+K]+ 438.02853 194.1
[M+H-H2O]+ 382.06263 178.8
[M+HCOO]- 444.06357 202.1
[M+CH3COO]- 458.07922 200.4
[M+Na-2H]- 420.04004 194.9
[M]+ 399.06482 197.6
[M]- 399.06592 197.6
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

patents stripe