CID 720036

2-{[(3,4-dimethylphenyl)imino]methyl}-4-nitrophenol

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=C(C=C(C=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])O)C
InChI
InChI=1S/C15H14N2O3/c1-10-3-4-13(7-11(10)2)16-9-12-8-14(17(19)20)5-6-15(12)18/h3-9,18H,1-2H3
InChIKey
DPODLIJMMLESBA-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethylphenyl)iminomethyl]-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10043 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 160.0
[M+Na]+ 293.08965 167.6
[M-H]- 269.09315 167.4
[M+NH4]+ 288.13425 175.5
[M+K]+ 309.06359 159.8
[M+H-H2O]+ 253.09769 156.8
[M+HCOO]- 315.09863 186.4
[M+CH3COO]- 329.11428 196.3
[M+Na-2H]- 291.07510 166.1
[M]+ 270.09988 159.7
[M]- 270.10098 159.7
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.