CID 204876

Brn 0856133

Structural Information

Molecular Formula
C19H16ClN3O4
SMILES
C1=CC=C(C=C1)C(CCl)N2C(=O)C=CC(=N2)OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16ClN3O4/c20-12-17(15-4-2-1-3-5-15)22-19(24)11-10-18(21-22)27-13-14-6-8-16(9-7-14)23(25)26/h1-11,17H,12-13H2
InChIKey
GCNIHRCBZACAAM-UHFFFAOYSA-N
Compound name
2-(2-chloro-1-phenylethyl)-6-[(4-nitrophenyl)methoxy]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.08295 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.09023 187.5
[M+Na]+ 408.07217 193.6
[M-H]- 384.07567 194.1
[M+NH4]+ 403.11677 195.2
[M+K]+ 424.04611 183.8
[M+H-H2O]+ 368.08021 180.9
[M+HCOO]- 430.08115 204.3
[M+CH3COO]- 444.09680 211.0
[M+Na-2H]- 406.05762 193.1
[M]+ 385.08240 189.8
[M]- 385.08350 189.8
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.