CID 2920606

N-(4-methoxybenzyl)-2-nitroaniline

Structural Information

Molecular Formula
C14H14N2O3
SMILES
COC1=CC=C(C=C1)CNC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H14N2O3/c1-19-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)18/h2-9,15H,10H2,1H3
InChIKey
KLPVHDQLXCJUOA-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

48
Patents

258.10043 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 156.2
[M+Na]+ 281.08965 162.0
[M-H]- 257.09315 162.9
[M+NH4]+ 276.13425 171.6
[M+K]+ 297.06359 154.9
[M+H-H2O]+ 241.09769 152.6
[M+HCOO]- 303.09863 182.8
[M+CH3COO]- 317.11428 192.6
[M+Na-2H]- 279.07510 164.1
[M]+ 258.09988 155.5
[M]- 258.10098 155.5
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.