CID 18567017

Pr5-ll-cm01

Structural Information

Molecular Formula
C23H27N7
SMILES
CC1=C(C=C(C=C1)NC2=C3C=NN(C3=NC(=N2)NCCN(C)C)C4=CC=CC=C4)C
InChI
InChI=1S/C23H27N7/c1-16-10-11-18(14-17(16)2)26-21-20-15-25-30(19-8-6-5-7-9-19)22(20)28-23(27-21)24-12-13-29(3)4/h5-11,14-15H,12-13H2,1-4H3,(H2,24,26,27,28)
InChIKey
UPAZOMJFUXPAJI-UHFFFAOYSA-N
Compound name
6-N-[2-(dimethylamino)ethyl]-4-N-(3,4-dimethylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

401.2328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.24008 199.4
[M+Na]+ 424.22202 214.5
[M+NH4]+ 419.26662 206.0
[M+K]+ 440.19596 207.7
[M-H]- 400.22552 206.5
[M+Na-2H]- 422.20747 209.4
[M]+ 401.23225 203.6
[M]- 401.23335 203.6
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

patents stripe