CID 774540

N-(3-nitrobenzylidene)-2,5-xylidine

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CC1=CC(=C(C=C1)C)N=CC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O2/c1-11-6-7-12(2)15(8-11)16-10-13-4-3-5-14(9-13)17(18)19/h3-10H,1-2H3
InChIKey
ZEUBPYWOKZYFNG-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylphenyl)-1-(3-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

254.10553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 157.1
[M+Na]+ 277.09475 164.4
[M-H]- 253.09825 165.6
[M+NH4]+ 272.13935 173.8
[M+K]+ 293.06869 157.0
[M+H-H2O]+ 237.10279 153.7
[M+HCOO]- 299.10373 184.9
[M+CH3COO]- 313.11938 195.8
[M+Na-2H]- 275.08020 164.1
[M]+ 254.10498 156.9
[M]- 254.10608 156.9
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