CID 794913

N-(2-nitrobenzylidene)-p-toluidine

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=CC=C(C=C1)N=CC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O2/c1-11-6-8-13(9-7-11)15-10-12-4-2-3-5-14(12)16(17)18/h2-10H,1H3
InChIKey
YKRSQWCMPJDBOD-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-1-(2-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

240.08987 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 152.6
[M+Na]+ 263.07909 159.4
[M-H]- 239.08259 160.8
[M+NH4]+ 258.12369 169.5
[M+K]+ 279.05303 152.1
[M+H-H2O]+ 223.08713 149.1
[M+HCOO]- 285.08807 180.7
[M+CH3COO]- 299.10372 191.7
[M+Na-2H]- 261.06454 160.7
[M]+ 240.08932 151.6
[M]- 240.09042 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

literature stripe

Patent stripe

patents stripe