CID 9651420

N'-(4-(allyloxy)benzylidene)-4-nitrobenzohydrazide

Structural Information

Molecular Formula
C17H15N3O4
SMILES
C=CCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H15N3O4/c1-2-11-24-16-9-3-13(4-10-16)12-18-19-17(21)14-5-7-15(8-6-14)20(22)23/h2-10,12H,1,11H2,(H,19,21)/b18-12+
InChIKey
VMBLRJHGCKTXRQ-LDADJPATSA-N
Compound name
4-nitro-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.10626 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11354 173.9
[M+Na]+ 348.09548 178.3
[M-H]- 324.09898 181.5
[M+NH4]+ 343.14008 186.4
[M+K]+ 364.06942 170.8
[M+H-H2O]+ 308.10352 169.0
[M+HCOO]- 370.10446 201.6
[M+CH3COO]- 384.12011 207.9
[M+Na-2H]- 346.08093 180.2
[M]+ 325.10571 173.7
[M]- 325.10681 173.7
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.