CID 292086

N-(3-nitrobenzylidene)-o-toluidine

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=CC=CC=C1N=CC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O2/c1-11-5-2-3-8-14(11)15-10-12-6-4-7-13(9-12)16(17)18/h2-10H,1H3
InChIKey
ZTFAOAOMPKRDSY-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-1-(3-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08987 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 152.6
[M+Na]+ 263.079088 159.4
[M-H]- 239.082594 160.8
[M+NH4]+ 258.123693 169.5
[M+K]+ 279.053028 152.1
[M+H-H2O]+ 223.087130 149.1
[M+HCOO]- 285.088071 180.7
[M+CH3COO]- 299.103721 191.7
[M+Na-2H]- 261.064536 160.7
[M]+ 240.08932142 151.6
[M]- 240.09041858 151.6
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.