CID 6873735

303090-90-6

Structural Information

Molecular Formula
C22H19FN4O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NCC(=O)N/N=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)F
InChI
InChI=1S/C22H19FN4O4/c23-18-8-4-17(5-9-18)15-31-21-10-6-16(7-11-21)13-25-26-22(28)14-24-19-2-1-3-20(12-19)27(29)30/h1-13,24H,14-15H2,(H,26,28)/b25-13+
InChIKey
AOIYMHODZZYKNG-DHRITJCHSA-N
Compound name
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(3-nitroanilino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.13904 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.14632 196.1
[M+Na]+ 445.12826 198.6
[M-H]- 421.13176 204.9
[M+NH4]+ 440.17286 203.7
[M+K]+ 461.10220 190.0
[M+H-H2O]+ 405.13630 187.9
[M+HCOO]- 467.13724 222.7
[M+CH3COO]- 481.15289 228.7
[M+Na-2H]- 443.11371 201.9
[M]+ 422.13849 194.2
[M]- 422.13959 194.2
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.