CID 364042

Nsc629659

Structural Information

Molecular Formula
C17H13N3OS
SMILES
C1CC(=O)N(N=C1C2=CC=CC=C2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C17H13N3OS/c21-16-11-10-13(12-6-2-1-3-7-12)19-20(16)17-18-14-8-4-5-9-15(14)22-17/h1-9H,10-11H2
InChIKey
VJJUKKBNPFYKGX-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-6-phenyl-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.07794 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08522 167.7
[M+Na]+ 330.06716 184.7
[M+NH4]+ 325.11176 177.0
[M+K]+ 346.04110 175.5
[M-H]- 306.07066 173.8
[M+Na-2H]- 328.05261 178.1
[M]+ 307.07739 172.6
[M]- 307.07849 172.6
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

No patent data available for this compound.