CID 6895859

N'-(2-methyl-3-phenyl-2-propenylidene)-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C17H15N3O3
SMILES
C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H15N3O3/c1-13(10-14-6-3-2-4-7-14)12-18-19-17(21)15-8-5-9-16(11-15)20(22)23/h2-12H,1H3,(H,19,21)/b13-10-,18-12+
InChIKey
CJGRKARUBGHXHK-XDSYSLTGSA-N
Compound name
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11133 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 171.2
[M+Na]+ 332.10055 174.6
[M-H]- 308.10405 178.5
[M+NH4]+ 327.14515 184.2
[M+K]+ 348.07449 167.1
[M+H-H2O]+ 292.10859 166.6
[M+HCOO]- 354.10953 197.7
[M+CH3COO]- 368.12518 204.7
[M+Na-2H]- 330.08600 176.7
[M]+ 309.11078 168.5
[M]- 309.11188 168.5
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.