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]+ 284.10298 162.9
[M+Na]+ 306.08492 167.4
[M-H]- 282.08842 172.0
[M+NH4]+ 301.12952 177.7
[M+K]+ 322.05886 161.7
[M+H-H2O]+ 266.09296 158.3
[M+HCOO]- 328.09390 191.4
[M+CH3COO]- 342.10955 202.9
[M+Na-2H]- 304.07037 169.9
[M]+ 283.09515 162.3
[M]- 283.09625 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.