CID 135599758

Propanimidamide, n-hydroxy-n'-(4-methylphenyl)-2-(((5-nitro-2-furanyl)methylene)hydrazono)-

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]+ 330.119676 175.3
[M+Na]+ 352.101618 178.7
[M-H]- 328.105124 185.2
[M+NH4]+ 347.146223 188.1
[M+K]+ 368.075558 174.1
[M+H-H2O]+ 312.109660 170.2
[M+HCOO]- 374.110601 205.7
[M+CH3COO]- 388.126251 214.0
[M+Na-2H]- 350.087066 181.7
[M]+ 329.11185142 175.0
[M]- 329.11294858 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.