CID 51060041

882864-79-1

Structural Information

Molecular Formula
C22H23N5O4
SMILES
CCCCCOC1=CC=C(C=C1)C2=NNC(=O)C=C2N/N=C/C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C22H23N5O4/c1-2-3-6-13-31-18-11-9-16(10-12-18)22-19(14-21(28)25-26-22)24-23-15-17-7-4-5-8-20(17)27(29)30/h4-5,7-12,14-15H,2-3,6,13H2,1H3,(H2,24,25,28)/b23-15+
InChIKey
AJBBLQCFMBDMSP-HZHRSRAPSA-N
Compound name
4-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-3-(4-pentoxyphenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.17502 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.18230 199.1
[M+Na]+ 444.16424 203.0
[M-H]- 420.16774 205.8
[M+NH4]+ 439.20884 204.1
[M+K]+ 460.13818 192.7
[M+H-H2O]+ 404.17228 190.8
[M+HCOO]- 466.17322 222.6
[M+CH3COO]- 480.18887 225.1
[M+Na-2H]- 442.14969 205.9
[M]+ 421.17447 198.8
[M]- 421.17557 198.8
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.