CID 4250009

1-(2,4-dimethylphenyl)-n-[2-(1h-indol-3-yl)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C23H22N6
SMILES
CC1=CC(=C(C=C1)N2C3=NC=NC(=C3C=N2)NCCC4=CNC5=CC=CC=C54)C
InChI
InChI=1S/C23H22N6/c1-15-7-8-21(16(2)11-15)29-23-19(13-28-29)22(26-14-27-23)24-10-9-17-12-25-20-6-4-3-5-18(17)20/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,26,27)
InChIKey
LFCQVOYKUIJFGR-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

382.19058 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19786 192.6
[M+Na]+ 405.17980 204.0
[M-H]- 381.18330 198.5
[M+NH4]+ 400.22440 202.4
[M+K]+ 421.15374 194.3
[M+H-H2O]+ 365.18784 181.1
[M+HCOO]- 427.18878 211.6
[M+CH3COO]- 441.20443 202.1
[M+Na-2H]- 403.16525 196.2
[M]+ 382.19003 196.2
[M]- 382.19113 196.2
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.