CID 72707126

1533427-34-7

Structural Information

Molecular Formula
C16H15N3O5
SMILES
C1=CC=C(C=C1)C(=O)NCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O
InChI
InChI=1S/C16H15N3O5/c20-14-7-6-12(19(23)24)10-13(14)16(22)18-9-8-17-15(21)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2,(H,17,21)(H,18,22)
InChIKey
DUIAWDQWCYCRPE-UHFFFAOYSA-N
Compound name
N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

329.10117 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.108446 171.4
[M+Na]+ 352.090388 174.5
[M-H]- 328.093894 176.4
[M+NH4]+ 347.134993 182.3
[M+K]+ 368.064328 167.5
[M+H-H2O]+ 312.098430 167.1
[M+HCOO]- 374.099371 195.5
[M+CH3COO]- 388.115021 203.7
[M+Na-2H]- 350.075836 176.6
[M]+ 329.10062142 168.7
[M]- 329.10171858 168.7
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