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]+ 302.07718 162.4
[M+Na]+ 324.05912 167.6
[M-H]- 300.06262 168.2
[M+NH4]+ 319.10372 174.8
[M+K]+ 340.03306 160.5
[M+H-H2O]+ 284.06716 158.6
[M+HCOO]- 346.06810 188.2
[M+CH3COO]- 360.08375 198.2
[M+Na-2H]- 322.04457 169.1
[M]+ 301.06935 160.0
[M]- 301.07045 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.