CID 525716

N-(4-methylbenzylidene)-3-nitroaniline

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=CC=C(C=C1)C=NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H12N2O2/c1-11-5-7-12(8-6-11)10-15-13-3-2-4-14(9-13)16(17)18/h2-10H,1H3
InChIKey
MTKMJIIIUICKAX-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-N-(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]+ 241.09715 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.