CID 15954995

Schembl6266478

Structural Information

Molecular Formula
C22H23N5
SMILES
CCCCC1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4C
InChI
InChI=1S/C22H23N5/c1-3-4-8-17-10-12-18(13-11-17)26-21-19-14-25-27(22(19)24-15-23-21)20-9-6-5-7-16(20)2/h5-7,9-15H,3-4,8H2,1-2H3,(H,23,24,26)
InChIKey
SEZXWIAZEIBULR-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

357.19534 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20262 188.8
[M+Na]+ 380.18456 198.3
[M-H]- 356.18806 194.7
[M+NH4]+ 375.22916 198.6
[M+K]+ 396.15850 189.8
[M+H-H2O]+ 340.19260 176.4
[M+HCOO]- 402.19354 209.0
[M+CH3COO]- 416.20919 198.4
[M+Na-2H]- 378.17001 193.6
[M]+ 357.19479 191.6
[M]- 357.19589 191.6
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