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

5
Patents

329.10117 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10845 171.4
[M+Na]+ 352.09039 174.5
[M-H]- 328.09389 176.4
[M+NH4]+ 347.13499 182.3
[M+K]+ 368.06433 167.5
[M+H-H2O]+ 312.09843 167.1
[M+HCOO]- 374.09937 195.5
[M+CH3COO]- 388.11502 203.7
[M+Na-2H]- 350.07584 176.6
[M]+ 329.10062 168.7
[M]- 329.10172 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