CID 632882

3(2h)-pyridazinone, 4,5-dihydro-2-(6-chloro-2-benzothiazolyl)-6-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C18H14ClN3O2S
SMILES
COC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=NC4=C(S3)C=C(C=C4)Cl
InChI
InChI=1S/C18H14ClN3O2S/c1-24-13-5-2-11(3-6-13)14-8-9-17(23)22(21-14)18-20-15-7-4-12(19)10-16(15)25-18/h2-7,10H,8-9H2,1H3
InChIKey
LSWVJNQFLBXJFD-UHFFFAOYSA-N
Compound name
2-(6-chloro-1,3-benzothiazol-2-yl)-6-(4-methoxyphenyl)-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.04953 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.05681 184.1
[M+Na]+ 394.03875 196.4
[M-H]- 370.04225 191.9
[M+NH4]+ 389.08335 196.9
[M+K]+ 410.01269 189.0
[M+H-H2O]+ 354.04679 175.0
[M+HCOO]- 416.04773 194.8
[M+CH3COO]- 430.06338 195.1
[M+Na-2H]- 392.02420 184.7
[M]+ 371.04898 190.2
[M]- 371.05008 190.2
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.