CID 163982

Vufb 15269

Structural Information

Molecular Formula
C20H15BrN2O4
SMILES
C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Br)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C20H15BrN2O4/c21-15-11-14(10-13-4-2-1-3-5-13)19(24)18(12-15)20(25)22-16-6-8-17(9-7-16)23(26)27/h1-9,11-12,24H,10H2,(H,22,25)
InChIKey
PVNVTBMCGQUNNY-UHFFFAOYSA-N
Compound name
3-benzyl-5-bromo-2-hydroxy-N-(4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.0215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.02878 192.1
[M+Na]+ 449.01072 199.0
[M-H]- 425.01422 202.3
[M+NH4]+ 444.05532 203.2
[M+K]+ 464.98466 182.7
[M+H-H2O]+ 409.01876 192.2
[M+HCOO]- 471.01970 212.4
[M+CH3COO]- 485.03535 215.9
[M+Na-2H]- 446.99617 196.8
[M]+ 426.02095 208.6
[M]- 426.02205 208.6
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