CID 72734382

Brd3308

Structural Information

Molecular Formula
C15H14FN3O2
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)N
InChI
InChI=1S/C15H14FN3O2/c1-9(20)18-12-5-2-10(3-6-12)15(21)19-14-7-4-11(16)8-13(14)17/h2-8H,17H2,1H3,(H,18,20)(H,19,21)
InChIKey
RRJDFENBXIEAPD-UHFFFAOYSA-N
Compound name
4-acetamido-N-(2-amino-4-fluorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

83
Patents

287.107 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11428 164.7
[M+Na]+ 310.09622 171.1
[M-H]- 286.09972 170.1
[M+NH4]+ 305.14082 179.1
[M+K]+ 326.07016 167.3
[M+H-H2O]+ 270.10426 155.6
[M+HCOO]- 332.10520 188.9
[M+CH3COO]- 346.12085 208.9
[M+Na-2H]- 308.08167 167.1
[M]+ 287.10645 161.2
[M]- 287.10755 161.2
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