CID 3058221

Nifoxipam

Structural Information

Molecular Formula
C15H10FN3O4
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])O)F
InChI
InChI=1S/C15H10FN3O4/c16-11-4-2-1-3-9(11)13-10-7-8(19(22)23)5-6-12(10)17-14(20)15(21)18-13/h1-7,15,21H,(H,17,20)
InChIKey
UHFIFTRHLBAWGY-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-3-hydroxy-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

315.06552 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07280 166.8
[M+Na]+ 338.05474 178.7
[M+NH4]+ 333.09934 171.8
[M+K]+ 354.02868 176.8
[M-H]- 314.05824 168.6
[M+Na-2H]- 336.04019 172.0
[M]+ 315.06497 168.7
[M]- 315.06607 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

literature stripe

Patent stripe

patents stripe