CID 135599758

Brn 4206745

Structural Information

Molecular Formula
C15H15N5O4
SMILES
CC1=CC=C(C=C1)N=C(/C(=N/N=C/C2=CC=C(O2)[N+](=O)[O-])/C)NO
InChI
InChI=1S/C15H15N5O4/c1-10-3-5-12(6-4-10)17-15(19-21)11(2)18-16-9-13-7-8-14(24-13)20(22)23/h3-9,21H,1-2H3,(H,17,19)/b16-9+,18-11+
InChIKey
OXLGPNRHLTUKEA-QHWSFBBFSA-N
Compound name
(2E)-N-hydroxy-N'-(4-methylphenyl)-2-[(E)-(5-nitrofuran-2-yl)methylidenehydrazinylidene]propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1124 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11968 175.3
[M+Na]+ 352.10162 178.7
[M-H]- 328.10512 185.2
[M+NH4]+ 347.14622 188.1
[M+K]+ 368.07556 174.1
[M+H-H2O]+ 312.10966 170.2
[M+HCOO]- 374.11060 205.7
[M+CH3COO]- 388.12625 214.0
[M+Na-2H]- 350.08707 181.7
[M]+ 329.11185 175.0
[M]- 329.11295 175.0
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.