CID 23400214

N,4-dimethyl-3-[(1-phenyl-1h-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

Structural Information

Molecular Formula
C20H18N6O
SMILES
CC1=C(C=C(C=C1)C(=O)NC)NC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H18N6O/c1-13-8-9-14(20(27)21-2)10-17(13)25-18-16-11-24-26(19(16)23-12-22-18)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,27)(H,22,23,25)
InChIKey
OYTBZXSFNNAVKU-UHFFFAOYSA-N
Compound name
N,4-dimethyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

358.1542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16148 184.9
[M+Na]+ 381.14342 194.2
[M-H]- 357.14692 191.6
[M+NH4]+ 376.18802 194.1
[M+K]+ 397.11736 186.9
[M+H-H2O]+ 341.15146 173.0
[M+HCOO]- 403.15240 206.4
[M+CH3COO]- 417.16805 194.8
[M+Na-2H]- 379.12887 190.9
[M]+ 358.15365 186.7
[M]- 358.15475 186.7
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