CID 392041

Nsc691840

Structural Information

Molecular Formula
C19H18N4O
SMILES
C1C(C(=O)NN=C1C2=CNC3=CC=CC=C32)NCC4=CC=CC=C4
InChI
InChI=1S/C19H18N4O/c24-19-18(20-11-13-6-2-1-3-7-13)10-17(22-23-19)15-12-21-16-9-5-4-8-14(15)16/h1-9,12,18,20-21H,10-11H2,(H,23,24)
InChIKey
XRBKJTOJCKAIQN-UHFFFAOYSA-N
Compound name
5-(benzylamino)-3-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.14807 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 173.1
[M+Na]+ 341.13729 180.3
[M-H]- 317.14079 177.3
[M+NH4]+ 336.18189 183.9
[M+K]+ 357.11123 171.8
[M+H-H2O]+ 301.14533 162.6
[M+HCOO]- 363.14627 190.6
[M+CH3COO]- 377.16192 182.2
[M+Na-2H]- 339.12274 177.8
[M]+ 318.14752 168.6
[M]- 318.14862 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.