CID 135483970

Nsc647092

Structural Information

Molecular Formula
C23H15ClN4O6
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)/C(=N/NC3=CC(=CC=C3)Cl)/C(=O)NC4=CC=CC=C4[N+](=O)[O-])O
InChI
InChI=1S/C23H15ClN4O6/c24-13-6-5-7-14(12-13)26-27-20(22(30)25-16-9-2-3-10-17(16)28(32)33)19-21(29)15-8-1-4-11-18(15)34-23(19)31/h1-12,26,29H,(H,25,30)/b27-20-
InChIKey
AJXXZZXPNBEBDZ-OOAXWGSJSA-N
Compound name
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-2-(4-hydroxy-2-oxochromen-3-yl)-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.06802 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.07530 208.6
[M+Na]+ 501.05724 212.7
[M-H]- 477.06074 219.3
[M+NH4]+ 496.10184 213.6
[M+K]+ 517.03118 205.3
[M+H-H2O]+ 461.06528 202.3
[M+HCOO]- 523.06622 227.8
[M+CH3COO]- 537.08187 235.8
[M+Na-2H]- 499.04269 215.3
[M]+ 478.06747 210.7
[M]- 478.06857 210.7
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.