CID 5333673

4-(diethylamino)benzaldehyde (4-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H20N4O2/c1-3-20(4-2)16-9-5-14(6-10-16)13-18-19-15-7-11-17(12-8-15)21(22)23/h5-13,19H,3-4H2,1-2H3/b18-13+
InChIKey
VTKKMSURKTWECD-QGOAFFKASA-N
Compound name
N,N-diethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15863 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.165906 172.5
[M+Na]+ 335.147848 176.1
[M-H]- 311.151354 181.3
[M+NH4]+ 330.192453 186.2
[M+K]+ 351.121788 169.6
[M+H-H2O]+ 295.155890 167.3
[M+HCOO]- 357.156831 201.9
[M+CH3COO]- 371.172481 213.8
[M+Na-2H]- 333.133296 179.4
[M]+ 312.15808142 172.2
[M]- 312.15917858 172.2
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.