CID 16770760

N-(5-amino-2-methoxyphenyl)-3-fluorobenzamide

Structural Information

Molecular Formula
C14H13FN2O2
SMILES
COC1=C(C=C(C=C1)N)NC(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C14H13FN2O2/c1-19-13-6-5-11(16)8-12(13)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKey
ZQCYCWDMHIIHJM-UHFFFAOYSA-N
Compound name
N-(5-amino-2-methoxyphenyl)-3-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0961 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.10338 156.9
[M+Na]+ 283.08532 164.6
[M-H]- 259.08882 162.4
[M+NH4]+ 278.12992 172.9
[M+K]+ 299.05926 160.9
[M+H-H2O]+ 243.09336 148.2
[M+HCOO]- 305.09430 181.2
[M+CH3COO]- 319.10995 201.0
[M+Na-2H]- 281.07077 160.6
[M]+ 260.09555 155.1
[M]- 260.09665 155.1
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

No patent data available for this compound.