CID 9630396

3-nitrobenzaldehyde methylphenylhydrazone

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CN(C1=CC=CC=C1)/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H13N3O2/c1-16(13-7-3-2-4-8-13)15-11-12-6-5-9-14(10-12)17(18)19/h2-11H,1H3/b15-11+
InChIKey
HNKJFIBRAQYFRH-RVDMUPIBSA-N
Compound name
N-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10077 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 155.8
[M+Na]+ 278.08999 160.8
[M-H]- 254.09349 164.9
[M+NH4]+ 273.13459 172.0
[M+K]+ 294.06393 154.9
[M+H-H2O]+ 238.09803 151.5
[M+HCOO]- 300.09897 185.3
[M+CH3COO]- 314.11462 198.8
[M+Na-2H]- 276.07544 164.4
[M]+ 255.10022 154.9
[M]- 255.10132 154.9
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.