CID 45054988

N'-((2-((4-fluorobenzyl)oxy)-1-naphthyl)methylene)-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C25H18FN3O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)F
InChI
InChI=1S/C25H18FN3O4/c26-20-10-5-17(6-11-20)16-33-24-14-9-18-3-1-2-4-22(18)23(24)15-27-28-25(30)19-7-12-21(13-8-19)29(31)32/h1-15H,16H2,(H,28,30)/b27-15+
InChIKey
BXTQIDYMFWAGBS-JFLMPSFJSA-N
Compound name
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.12814 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.13542 203.5
[M+Na]+ 466.11736 207.3
[M-H]- 442.12086 213.1
[M+NH4]+ 461.16196 211.3
[M+K]+ 482.09130 197.9
[M+H-H2O]+ 426.12540 194.9
[M+HCOO]- 488.12634 227.3
[M+CH3COO]- 502.14199 231.6
[M+Na-2H]- 464.10281 209.4
[M]+ 443.12759 202.3
[M]- 443.12869 202.3
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.