CID 15955017

Schembl6263460

Structural Information

Molecular Formula
C20H17N7
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NC4=CC5=C(C=C4)NN=C5)C
InChI
InChI=1S/C20H17N7/c1-12-3-6-18(13(2)7-12)27-20-16(10-24-27)19(21-11-22-20)25-15-4-5-17-14(8-15)9-23-26-17/h3-11H,1-2H3,(H,23,26)(H,21,22,25)
InChIKey
PDLMKVWFJNURJM-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-N-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

355.15454 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16182 184.4
[M+Na]+ 378.14376 197.2
[M-H]- 354.14726 189.6
[M+NH4]+ 373.18836 193.9
[M+K]+ 394.11770 187.7
[M+H-H2O]+ 338.15180 172.9
[M+HCOO]- 400.15274 203.0
[M+CH3COO]- 414.16839 194.4
[M+Na-2H]- 376.12921 189.3
[M]+ 355.15399 187.5
[M]- 355.15509 187.5
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