CID 135599762

Brn 4209114

Structural Information

Molecular Formula
C15H15N5O5
SMILES
C/C(=N\N=C\C1=CC=C(O1)[N+](=O)[O-])/C(=NC2=CC=C(C=C2)OC)NO
InChI
InChI=1S/C15H15N5O5/c1-10(18-16-9-13-7-8-14(25-13)20(22)23)15(19-21)17-11-3-5-12(24-2)6-4-11/h3-9,21H,1-2H3,(H,17,19)/b16-9+,18-10+
InChIKey
ISFLMWDJZUDJED-FRCVOOFRSA-N
Compound name
(2E)-N-hydroxy-N'-(4-methoxyphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.10733 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11461 178.9
[M+Na]+ 368.09655 186.9
[M+NH4]+ 363.14115 183.3
[M+K]+ 384.07049 187.4
[M-H]- 344.10005 184.9
[M+Na-2H]- 366.08200 183.6
[M]+ 345.10678 181.0
[M]- 345.10788 181.0
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.