CID 50904505

5-chloro-2-(9h-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3(2h)-one

Structural Information

Molecular Formula
C24H17ClN2O3
SMILES
COC1=CC=C(C=C1)OC2=C(C=NN(C2=O)C3C4=CC=CC=C4C5=CC=CC=C35)Cl
InChI
InChI=1S/C24H17ClN2O3/c1-29-15-10-12-16(13-11-15)30-23-21(25)14-26-27(24(23)28)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22/h2-14,22H,1H3
InChIKey
QHVSQUYCVUHYKT-UHFFFAOYSA-N
Compound name
5-chloro-2-(9H-fluoren-9-yl)-4-(4-methoxyphenoxy)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

416.09277 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10005 200.0
[M+Na]+ 439.08199 211.6
[M-H]- 415.08549 209.5
[M+NH4]+ 434.12659 211.9
[M+K]+ 455.05593 203.7
[M+H-H2O]+ 399.09003 188.8
[M+HCOO]- 461.09097 215.2
[M+CH3COO]- 475.10662 210.3
[M+Na-2H]- 437.06744 202.5
[M]+ 416.09222 206.7
[M]- 416.09332 206.7
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

patents stripe