CID 374740

Nsc652932

Structural Information

Molecular Formula
C17H13N3OS
SMILES
C1CC(=O)N(N=C1C2=CC=CC=C2)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C17H13N3OS/c21-16-11-10-14(12-6-2-1-3-7-12)18-20(16)17-13-8-4-5-9-15(13)22-19-17/h1-9H,10-11H2
InChIKey
LJWKIFNQFUEEQL-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yl)-6-phenyl-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.07794 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08522 169.2
[M+Na]+ 330.06716 180.1
[M-H]- 306.07066 176.7
[M+NH4]+ 325.11176 183.3
[M+K]+ 346.04110 173.2
[M+H-H2O]+ 290.07520 159.8
[M+HCOO]- 352.07614 184.8
[M+CH3COO]- 366.09179 180.7
[M+Na-2H]- 328.05261 172.0
[M]+ 307.07739 170.7
[M]- 307.07849 170.7
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.