CID 16772236

N-(5-amino-2-fluorophenyl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C13H17FN2O
SMILES
C1CCC(CC1)C(=O)NC2=C(C=CC(=C2)N)F
InChI
InChI=1S/C13H17FN2O/c14-11-7-6-10(15)8-12(11)16-13(17)9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H,16,17)
InChIKey
AEMBEDJANFYSAP-UHFFFAOYSA-N
Compound name
N-(5-amino-2-fluorophenyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13249 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13977 152.9
[M+Na]+ 259.12171 157.2
[M-H]- 235.12521 157.1
[M+NH4]+ 254.16631 169.5
[M+K]+ 275.09565 153.7
[M+H-H2O]+ 219.12975 144.6
[M+HCOO]- 281.13069 173.1
[M+CH3COO]- 295.14634 195.7
[M+Na-2H]- 257.10716 155.0
[M]+ 236.13194 144.6
[M]- 236.13304 144.6
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

No patent data available for this compound.