CID 5272623

2,4,6-trihydroxy-3-nitro-n-phenethyl-benzamide

Structural Information

Molecular Formula
C15H14N2O6
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=C(C(=C(C=C2O)O)[N+](=O)[O-])O
InChI
InChI=1S/C15H14N2O6/c18-10-8-11(19)13(17(22)23)14(20)12(10)15(21)16-7-6-9-4-2-1-3-5-9/h1-5,8,18-20H,6-7H2,(H,16,21)
InChIKey
FSKDQUOPTMGCDZ-UHFFFAOYSA-N
Compound name
2,4,6-trihydroxy-3-nitro-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.08517 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09245 167.4
[M+Na]+ 341.07439 172.5
[M-H]- 317.07789 170.6
[M+NH4]+ 336.11899 178.3
[M+K]+ 357.04833 164.8
[M+H-H2O]+ 301.08243 164.2
[M+HCOO]- 363.08337 188.7
[M+CH3COO]- 377.09902 196.3
[M+Na-2H]- 339.05984 171.7
[M]+ 318.08462 165.1
[M]- 318.08572 165.1
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.