CID 3046179

61706-47-6

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC(C1=CC=CC=C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C15H14N2O3/c1-15(14(16)18,11-5-3-2-4-6-11)12-7-9-13(10-8-12)17(19)20/h2-10H,1H3,(H2,16,18)
InChIKey
JZCUTIIACJHTIS-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-2-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.10043 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 159.1
[M+Na]+ 293.08965 164.0
[M-H]- 269.09315 165.3
[M+NH4]+ 288.13425 173.4
[M+K]+ 309.06359 156.9
[M+H-H2O]+ 253.09769 156.2
[M+HCOO]- 315.09863 182.4
[M+CH3COO]- 329.11428 193.7
[M+Na-2H]- 291.07510 166.3
[M]+ 270.09988 155.6
[M]- 270.10098 155.6
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

patents stripe