CID 9651469

3-nitrobenzaldehyde (2,4-dinitrophenyl)methylhydrazone

Structural Information

Molecular Formula
C14H11N5O6
SMILES
CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H11N5O6/c1-16(15-9-10-3-2-4-11(7-10)17(20)21)13-6-5-12(18(22)23)8-14(13)19(24)25/h2-9H,1H3/b15-9+
InChIKey
SZNCICYWJGUGEM-OQLLNIDSSA-N
Compound name
N-methyl-2,4-dinitro-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.07092 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.07820 177.5
[M+Na]+ 368.06014 179.4
[M-H]- 344.06364 185.4
[M+NH4]+ 363.10474 215.4
[M+K]+ 384.03408 166.5
[M+H-H2O]+ 328.06818 180.1
[M+HCOO]- 390.06912 226.9
[M+CH3COO]- 404.08477 205.5
[M+Na-2H]- 366.04559 186.6
[M]+ 345.07037 173.3
[M]- 345.07147 173.3
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.