CID 9601293

P-anisaldehyde, (p-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C14H13N3O3
SMILES
COC1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O3/c1-20-14-8-2-11(3-9-14)10-15-16-12-4-6-13(7-5-12)17(18)19/h2-10,16H,1H3/b15-10+
InChIKey
DGJRRYXJIRLUID-XNTDXEJSSA-N
Compound name
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0957 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 158.3
[M+Na]+ 294.08492 163.9
[M-H]- 270.08842 166.3
[M+NH4]+ 289.12952 173.4
[M+K]+ 310.05886 157.1
[M+H-H2O]+ 254.09296 154.0
[M+HCOO]- 316.09390 187.5
[M+CH3COO]- 330.10955 198.6
[M+Na-2H]- 292.07037 167.2
[M]+ 271.09515 157.9
[M]- 271.09625 157.9
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.