CID 135599760

Brn 4208378

Structural Information

Molecular Formula
C14H12ClN5O4
SMILES
C/C(=N\N=C\C1=CC=C(O1)[N+](=O)[O-])/C(=NC2=CC(=CC=C2)Cl)NO
InChI
InChI=1S/C14H12ClN5O4/c1-9(14(19-21)17-11-4-2-3-10(15)7-11)18-16-8-12-5-6-13(24-12)20(22)23/h2-8,21H,1H3,(H,17,19)/b16-8+,18-9+
InChIKey
RNFSULZYRHJOMA-GKDRSBEFSA-N
Compound name
(2E)-N'-(3-chlorophenyl)-N-hydroxy-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.05777 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.06505 181.8
[M+Na]+ 372.04699 186.0
[M-H]- 348.05049 191.5
[M+NH4]+ 367.09159 194.6
[M+K]+ 388.02093 180.0
[M+H-H2O]+ 332.05503 177.8
[M+HCOO]- 394.05597 207.9
[M+CH3COO]- 408.07162 214.6
[M+Na-2H]- 370.03244 187.7
[M]+ 349.05722 183.5
[M]- 349.05832 183.5
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.