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]+ 256.108046 155.8
[M+Na]+ 278.089988 160.8
[M-H]- 254.093494 164.9
[M+NH4]+ 273.134593 172.0
[M+K]+ 294.063928 154.9
[M+H-H2O]+ 238.098030 151.5
[M+HCOO]- 300.098971 185.3
[M+CH3COO]- 314.114621 198.8
[M+Na-2H]- 276.075436 164.4
[M]+ 255.10022142 154.9
[M]- 255.10131858 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.