CID 3860015

624726-03-0

Structural Information

Molecular Formula
C16H12N4O6
SMILES
COC1=C(C=CC(=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O)O
InChI
InChI=1S/C16H12N4O6/c1-26-13-6-8(2-5-12(13)21)15(22)19-18-14-10-7-9(20(24)25)3-4-11(10)17-16(14)23/h2-7,17,21,23H,1H3
InChIKey
PIMJRJKYTIRMPW-UHFFFAOYSA-N
Compound name
4-hydroxy-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.07568 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08296 176.7
[M+Na]+ 379.06490 188.5
[M+NH4]+ 374.10950 181.4
[M+K]+ 395.03884 188.7
[M-H]- 355.06840 180.3
[M+Na-2H]- 377.05035 181.8
[M]+ 356.07513 178.8
[M]- 356.07623 178.8
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.