CID 15954994

852314-06-8

Structural Information

Molecular Formula
C22H20N6
SMILES
CC1=CC=CC=C1N2C3=NC=NC(=C3C=N2)NCCC4=CNC5=CC=CC=C54
InChI
InChI=1S/C22H20N6/c1-15-6-2-5-9-20(15)28-22-18(13-27-28)21(25-14-26-22)23-11-10-16-12-24-19-8-4-3-7-17(16)19/h2-9,12-14,24H,10-11H2,1H3,(H,23,25,26)
InChIKey
NIJZTMRPASSXAI-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.17496 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18224 186.3
[M+Na]+ 391.16418 197.4
[M-H]- 367.16768 192.0
[M+NH4]+ 386.20878 196.4
[M+K]+ 407.13812 187.9
[M+H-H2O]+ 351.17222 174.8
[M+HCOO]- 413.17316 205.8
[M+CH3COO]- 427.18881 196.0
[M+Na-2H]- 389.14963 191.3
[M]+ 368.17441 189.2
[M]- 368.17551 189.2
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

patents stripe