CID 47608

Endralazine

Structural Information

Molecular Formula
C14H15N5O
SMILES
C1CN(CC2=CC(=NN=C21)NN)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C14H15N5O/c15-16-13-8-11-9-19(7-6-12(11)17-18-13)14(20)10-4-2-1-3-5-10/h1-5,8H,6-7,9,15H2,(H,16,18)
InChIKey
ALAXZYHFVBSJKZ-UHFFFAOYSA-N
Compound name
(3-hydrazinyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

58
References

2126
Patents

269.12766 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13494 160.9
[M+Na]+ 292.11688 173.4
[M+NH4]+ 287.16148 168.0
[M+K]+ 308.09082 167.0
[M-H]- 268.12038 164.7
[M+Na-2H]- 290.10233 168.4
[M]+ 269.12711 163.4
[M]- 269.12821 163.4
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