CID 9556697

N'-(1-(4-methylphenyl)ethylidene)-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C16H15N3O3
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])/C
InChI
InChI=1S/C16H15N3O3/c1-11-6-8-13(9-7-11)12(2)17-18-16(20)14-4-3-5-15(10-14)19(21)22/h3-10H,1-2H3,(H,18,20)/b17-12+
InChIKey
ZQPZMUGGEJZLNN-SFQUDFHCSA-N
Compound name
N-[(E)-1-(4-methylphenyl)ethylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11133 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.1
[M+Na]+ 320.10055 171.6
[M-H]- 296.10405 174.9
[M+NH4]+ 315.14515 180.9
[M+K]+ 336.07449 164.9
[M+H-H2O]+ 280.10859 162.8
[M+HCOO]- 342.10953 193.8
[M+CH3COO]- 356.12518 204.4
[M+Na-2H]- 318.08600 172.5
[M]+ 297.11078 165.3
[M]- 297.11188 165.3
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.