CID 5355300

Nsc-31759

Structural Information

Molecular Formula
C18H14N2O5
SMILES
C1=CC(=CC=C1/C=C\C(=O)O)N=[N+](C2=CC=C(C=C2)/C=C\C(=O)O)[O-]
InChI
InChI=1S/C18H14N2O5/c21-17(22)11-5-13-1-7-15(8-2-13)19-20(25)16-9-3-14(4-10-16)6-12-18(23)24/h1-12H,(H,21,22)(H,23,24)/b11-5-,12-6-,20-19?
InChIKey
MYLSINGHPQBDKM-LEDOFVAJSA-N
Compound name
[4-[(Z)-2-carboxyethenyl]phenyl]-[4-[(Z)-2-carboxyethenyl]phenyl]imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09027 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 176.5
[M+Na]+ 361.07949 188.0
[M+NH4]+ 356.12409 181.3
[M+K]+ 377.05343 184.9
[M-H]- 337.08299 179.8
[M+Na-2H]- 359.06494 182.1
[M]+ 338.08972 178.5
[M]- 338.09082 178.5
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.