CID 9615923

94460-38-5

Structural Information

Molecular Formula
C16H15N3O4
SMILES
CC1=CC=C(C=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H15N3O4/c1-12-5-7-15(8-6-12)23-11-16(20)18-17-10-13-3-2-4-14(9-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKey
VOILCDWKWDGESI-LICLKQGHSA-N
Compound name
2-(4-methylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.10626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11354 170.1
[M+Na]+ 336.09548 174.7
[M-H]- 312.09898 177.9
[M+NH4]+ 331.14008 183.3
[M+K]+ 352.06942 168.0
[M+H-H2O]+ 296.10352 165.4
[M+HCOO]- 358.10446 198.0
[M+CH3COO]- 372.12011 205.8
[M+Na-2H]- 334.08093 176.9
[M]+ 313.10571 170.3
[M]- 313.10681 170.3
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.