CID 2827658

Benzamide, 3-nitro-n-(1-phenylethyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

270.10043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 160.0
[M+Na]+ 293.08965 164.2
[M-H]- 269.09315 166.3
[M+NH4]+ 288.13425 174.4
[M+K]+ 309.06359 157.4
[M+H-H2O]+ 253.09769 156.4
[M+HCOO]- 315.09863 184.4
[M+CH3COO]- 329.11428 194.3
[M+Na-2H]- 291.07510 165.7
[M]+ 270.09988 157.2
[M]- 270.10098 157.2
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.