CID 4394474

N-(4-benzyloxybenzylidene)-3-nitroaniline

Structural Information

Molecular Formula
C20H16N2O3
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H16N2O3/c23-22(24)19-8-4-7-18(13-19)21-14-16-9-11-20(12-10-16)25-15-17-5-2-1-3-6-17/h1-14H,15H2
InChIKey
DRWMRBYLKWKBCX-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)-1-(4-phenylmethoxyphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1161 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.12338 178.4
[M+Na]+ 355.10532 183.1
[M-H]- 331.10882 188.8
[M+NH4]+ 350.14992 190.5
[M+K]+ 371.07926 174.5
[M+H-H2O]+ 315.11336 172.3
[M+HCOO]- 377.11430 205.5
[M+CH3COO]- 391.12995 207.9
[M+Na-2H]- 353.09077 185.8
[M]+ 332.11555 177.9
[M]- 332.11665 177.9
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.