CID 135483810

2oh4no2phcon2 4

Structural Information

Molecular Formula
C14H11N3O5
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])O)O
InChI
InChI=1S/C14H11N3O5/c18-11-4-1-9(2-5-11)8-15-16-14(20)12-6-3-10(17(21)22)7-13(12)19/h1-8,18-19H,(H,16,20)/b15-8+
InChIKey
IZQCSHFZGIXPBH-OVCLIPMQSA-N
Compound name
2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0699 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.077176 162.4
[M+Na]+ 324.059118 167.6
[M-H]- 300.062624 168.2
[M+NH4]+ 319.103723 174.8
[M+K]+ 340.033058 160.5
[M+H-H2O]+ 284.067160 158.6
[M+HCOO]- 346.068101 188.2
[M+CH3COO]- 360.083751 198.2
[M+Na-2H]- 322.044566 169.1
[M]+ 301.06935142 160.0
[M]- 301.07044858 160.0
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.