CID 1502520

1-[(4-methylphenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C24H26N6
SMILES
CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=C5C
InChI
InChI=1S/C24H26N6/c1-18-7-9-20(10-8-18)16-30-24-21(15-27-30)23(25-17-26-24)29-13-11-28(12-14-29)22-6-4-3-5-19(22)2/h3-10,15,17H,11-14,16H2,1-2H3
InChIKey
QFKWGNHOYQRRKI-UHFFFAOYSA-N
Compound name
1-[(4-methylphenyl)methyl]-4-[4-(2-methylphenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

398.2219 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22918 200.4
[M+Na]+ 421.21112 218.5
[M+NH4]+ 416.25572 207.3
[M+K]+ 437.18506 210.5
[M-H]- 397.21462 206.8
[M+Na-2H]- 419.19657 210.9
[M]+ 398.22135 205.0
[M]- 398.22245 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.