CID 44138032

St-2987

Structural Information

Molecular Formula
C17H15N3O5
SMILES
C1=CC(=CC=C1CO/N=C/C2=CC=C(C=C2)/C=C/C(=O)NO)[N+](=O)[O-]
InChI
InChI=1S/C17H15N3O5/c21-17(19-22)10-7-13-1-3-14(4-2-13)11-18-25-12-15-5-8-16(9-6-15)20(23)24/h1-11,22H,12H2,(H,19,21)/b10-7+,18-11+
InChIKey
IWWFFHDXUHSRDM-PFMZDYLOSA-N
Compound name
(E)-N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

341.10117 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10845 176.1
[M+Na]+ 364.09039 179.8
[M-H]- 340.09389 182.3
[M+NH4]+ 359.13499 187.2
[M+K]+ 380.06433 172.2
[M+H-H2O]+ 324.09843 171.2
[M+HCOO]- 386.09937 202.5
[M+CH3COO]- 400.11502 206.9
[M+Na-2H]- 362.07584 182.3
[M]+ 341.10062 175.3
[M]- 341.10172 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe