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]+ 313.16591 172.5
[M+Na]+ 335.14785 176.1
[M-H]- 311.15135 181.3
[M+NH4]+ 330.19245 186.2
[M+K]+ 351.12179 169.6
[M+H-H2O]+ 295.15589 167.3
[M+HCOO]- 357.15683 201.9
[M+CH3COO]- 371.17248 213.8
[M+Na-2H]- 333.13330 179.4
[M]+ 312.15808 172.2
[M]- 312.15918 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.