CID 204863

17072-80-9

Structural Information

Molecular Formula
C19H17ClN2O2
SMILES
C1=CC=C(C=C1)COC2=NN(C(=O)C=C2)C(CCl)C3=CC=CC=C3
InChI
InChI=1S/C19H17ClN2O2/c20-13-17(16-9-5-2-6-10-16)22-19(23)12-11-18(21-22)24-14-15-7-3-1-4-8-15/h1-12,17H,13-14H2
InChIKey
WNOKUZLCCQYYHY-UHFFFAOYSA-N
Compound name
2-(2-chloro-1-phenylethyl)-6-phenylmethoxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.09787 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10515 177.6
[M+Na]+ 363.08709 185.6
[M-H]- 339.09059 184.1
[M+NH4]+ 358.13169 188.4
[M+K]+ 379.06103 178.8
[M+H-H2O]+ 323.09513 166.8
[M+HCOO]- 385.09607 193.6
[M+CH3COO]- 399.11172 187.8
[M+Na-2H]- 361.07254 182.4
[M]+ 340.09732 181.0
[M]- 340.09842 181.0
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.