CID 24779677

2-(4-ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile

Structural Information

Molecular Formula
C18H20N8
SMILES
CCN1CCN(CC1)C2=NC3=C(C=NN3C(=N2)NC4=CC=CC=C4)C#N
InChI
InChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23)
InChIKey
BIFHJPUTQBOBGJ-UHFFFAOYSA-N
Compound name
4-anilino-2-(4-ethylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

348.1811 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18838 177.9
[M+Na]+ 371.17032 186.7
[M-H]- 347.17382 177.0
[M+NH4]+ 366.21492 182.9
[M+K]+ 387.14426 177.7
[M+H-H2O]+ 331.17836 157.4
[M+HCOO]- 393.17930 188.5
[M+CH3COO]- 407.19495 183.8
[M+Na-2H]- 369.15577 180.9
[M]+ 348.18055 170.2
[M]- 348.18165 170.2
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

patents stripe