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

19
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.