CID 54576073

Tt-301

Structural Information

Molecular Formula
C23H21N7
SMILES
C1CN(CCN1C2=NN=C(C=C2C3=CC=NC=C3)C4=CC=CC=C4)C5=NC=CC=N5
InChI
InChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
InChIKey
ZPJGUEPHFXPAQF-UHFFFAOYSA-N
Compound name
6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

53
Patents

395.18585 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19313 197.3
[M+Na]+ 418.17507 216.4
[M+NH4]+ 413.21967 203.5
[M+K]+ 434.14901 206.5
[M-H]- 394.17857 204.8
[M+Na-2H]- 416.16052 211.5
[M]+ 395.18530 202.4
[M]- 395.18640 202.4
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