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 177.4
[M+Na]+ 368.09655 180.5
[M-H]- 344.10005 187.3
[M+NH4]+ 363.14115 189.4
[M+K]+ 384.07049 176.6
[M+H-H2O]+ 328.10459 172.1
[M+HCOO]- 390.10553 207.9
[M+CH3COO]- 404.12118 216.3
[M+Na-2H]- 366.08200 184.2
[M]+ 345.10678 178.5
[M]- 345.10788 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.