CID 670654

2-(benzylamino)-n-(4-fluorophenyl)acetamide

Structural Information

Molecular Formula
C15H15FN2O
SMILES
C1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C15H15FN2O/c16-13-6-8-14(9-7-13)18-15(19)11-17-10-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,18,19)
InChIKey
DTKMORFVZLHBEA-UHFFFAOYSA-N
Compound name
2-(benzylamino)-N-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

258.11685 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12413 157.3
[M+Na]+ 281.10607 162.7
[M-H]- 257.10957 162.3
[M+NH4]+ 276.15067 173.0
[M+K]+ 297.08001 158.4
[M+H-H2O]+ 241.11411 148.2
[M+HCOO]- 303.11505 181.7
[M+CH3COO]- 317.13070 200.1
[M+Na-2H]- 279.09152 163.0
[M]+ 258.11630 154.6
[M]- 258.11740 154.6
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