CID 5467759

Nsc658803

Structural Information

Molecular Formula
C25H20ClN5O4
SMILES
CN(C1=C(C(=O)NN=C1)Cl)NC(=O)/C(=C/C2=C(C=CC3=CC=CC=C32)O)/NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H20ClN5O4/c1-31(20-14-27-29-25(35)22(20)26)30-24(34)19(28-23(33)16-8-3-2-4-9-16)13-18-17-10-6-5-7-15(17)11-12-21(18)32/h2-14,32H,1H3,(H,28,33)(H,29,35)(H,30,34)/b19-13-
InChIKey
HGIHULDGPSXPEJ-UYRXBGFRSA-N
Compound name
N-[(Z)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)-2-methylhydrazinyl]-1-(2-hydroxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.1204 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.12768 210.5
[M+Na]+ 512.10962 215.2
[M-H]- 488.11312 217.0
[M+NH4]+ 507.15422 214.2
[M+K]+ 528.08356 209.0
[M+H-H2O]+ 472.11766 199.6
[M+HCOO]- 534.11860 223.9
[M+CH3COO]- 548.13425 243.0
[M+Na-2H]- 510.09507 213.3
[M]+ 489.11985 211.3
[M]- 489.12095 211.3
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.