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 203.1
[M+Na]+ 421.21112 211.4
[M-H]- 397.21462 208.5
[M+NH4]+ 416.25572 207.8
[M+K]+ 437.18506 201.6
[M+H-H2O]+ 381.21916 188.0
[M+HCOO]- 443.22010 215.3
[M+CH3COO]- 457.23575 209.9
[M+Na-2H]- 419.19657 203.7
[M]+ 398.22135 201.2
[M]- 398.22245 201.2
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.