CID 715924

Ica-105574

Structural Information

Molecular Formula
C19H14N2O4
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14N2O4/c22-19(14-5-4-6-16(13-14)21(23)24)20-15-9-11-18(12-10-15)25-17-7-2-1-3-8-17/h1-13H,(H,20,22)
InChIKey
GDWKBKTVROCPNZ-UHFFFAOYSA-N
Compound name
3-nitro-N-(4-phenoxyphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

5
Patents

334.09537 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10265 175.7
[M+Na]+ 357.08459 179.8
[M-H]- 333.08809 185.0
[M+NH4]+ 352.12919 186.8
[M+K]+ 373.05853 171.8
[M+H-H2O]+ 317.09263 170.0
[M+HCOO]- 379.09357 200.8
[M+CH3COO]- 393.10922 205.1
[M+Na-2H]- 355.07004 182.4
[M]+ 334.09482 173.8
[M]- 334.09592 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe