CID 9616422

N'-(2-ethoxybenzylidene)-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C16H15N3O4
SMILES
CCOC1=CC=CC=C1/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15N3O4/c1-2-23-15-6-4-3-5-13(15)11-17-18-16(20)12-7-9-14(10-8-12)19(21)22/h3-11H,2H2,1H3,(H,18,20)/b17-11+
InChIKey
QOTBYUYSXDBFEZ-GZTJUZNOSA-N
Compound name
N-[(E)-(2-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.10626 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.113536 170.1
[M+Na]+ 336.095478 174.7
[M-H]- 312.098984 177.9
[M+NH4]+ 331.140083 183.3
[M+K]+ 352.069418 168.0
[M+H-H2O]+ 296.103520 165.4
[M+HCOO]- 358.104461 198.0
[M+CH3COO]- 372.120111 205.8
[M+Na-2H]- 334.080926 176.9
[M]+ 313.10571142 170.3
[M]- 313.10680858 170.3
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.