CID 6474147

Nsc658794

Structural Information

Molecular Formula
C19H16ClN5O4
SMILES
CN(C1=C(C(=O)NN=C1)Cl)NC(=O)/C(=C/C2=CC=CO2)/NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16ClN5O4/c1-25(15-11-21-23-19(28)16(15)20)24-18(27)14(10-13-8-5-9-29-13)22-17(26)12-6-3-2-4-7-12/h2-11H,1H3,(H,22,26)(H,23,28)(H,24,27)/b14-10-
InChIKey
XBIKLVKXOSGMNL-UVTDQMKNSA-N
Compound name
N-[(Z)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)-2-methylhydrazinyl]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.08908 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.09636 195.2
[M+Na]+ 436.07830 200.1
[M-H]- 412.08180 203.5
[M+NH4]+ 431.12290 202.2
[M+K]+ 452.05224 196.4
[M+H-H2O]+ 396.08634 184.9
[M+HCOO]- 458.08728 212.5
[M+CH3COO]- 472.10293 226.8
[M+Na-2H]- 434.06375 196.6
[M]+ 413.08853 197.2
[M]- 413.08963 197.2
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.