CID 5388859

Nsc639693

Structural Information

Molecular Formula
C15H13N3O3
SMILES
CC(=O)N(C1=CC=CC=C1)/N=C/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O3/c1-12(19)17(14-5-3-2-4-6-14)16-11-13-7-9-15(10-8-13)18(20)21/h2-11H,1H3/b16-11+
InChIKey
BBWSBUROEQHSAP-LFIBNONCSA-N
Compound name
N-[(E)-(4-nitrophenyl)methylideneamino]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 162.9
[M+Na]+ 306.084918 167.4
[M-H]- 282.088424 172.0
[M+NH4]+ 301.129523 177.7
[M+K]+ 322.058858 161.7
[M+H-H2O]+ 266.092960 158.3
[M+HCOO]- 328.093901 191.4
[M+CH3COO]- 342.109551 202.9
[M+Na-2H]- 304.070366 169.9
[M]+ 283.09515142 162.3
[M]- 283.09624858 162.3
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.