CID 720792

2-nitro-n-phenethylbenzamide

Structural Information

Molecular Formula
C15H14N2O3
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O3/c18-15(13-8-4-5-9-14(13)17(19)20)16-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,18)
InChIKey
LZACRFHFFFAFSW-UHFFFAOYSA-N
Compound name
2-nitro-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

270.10043 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.107706 160.2
[M+Na]+ 293.089648 164.7
[M-H]- 269.093154 166.5
[M+NH4]+ 288.134253 174.7
[M+K]+ 309.063588 157.4
[M+H-H2O]+ 253.097690 156.5
[M+HCOO]- 315.098631 185.7
[M+CH3COO]- 329.114281 193.6
[M+Na-2H]- 291.075096 167.1
[M]+ 270.09988142 158.1
[M]- 270.10097858 158.1
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

No patent data available for this compound.