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

1
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

literature stripe

Patent stripe

patents stripe