CID 143911

N-(4-methylbenzylidene)-4-nitroaniline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
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

literature stripe

Patent stripe

patents stripe