CID 151194

Vatalanib

Structural Information

Molecular Formula
C20H15ClN4
SMILES
C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4
InChI
InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
InChIKey
YCOYDOIWSSHVCK-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

388
References

37511
Patents

346.0985 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10578 182.7
[M+Na]+ 369.08772 202.4
[M+NH4]+ 364.13232 192.0
[M+K]+ 385.06166 190.8
[M-H]- 345.09122 190.5
[M+Na-2H]- 367.07317 195.7
[M]+ 346.09795 188.4
[M]- 346.09905 188.4
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