CID 55136707

5-amino-2-fluoro-n-methyl-n-(4-methylpentan-2-yl)benzamide

Structural Information

Molecular Formula
C14H21FN2O
SMILES
CC(C)CC(C)N(C)C(=O)C1=C(C=CC(=C1)N)F
InChI
InChI=1S/C14H21FN2O/c1-9(2)7-10(3)17(4)14(18)12-8-11(16)5-6-13(12)15/h5-6,8-10H,7,16H2,1-4H3
InChIKey
USIPWDGDDRMZKP-UHFFFAOYSA-N
Compound name
5-amino-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.16379 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17107 161.1
[M+Na]+ 275.15301 166.3
[M-H]- 251.15651 164.2
[M+NH4]+ 270.19761 178.2
[M+K]+ 291.12695 165.2
[M+H-H2O]+ 235.16105 153.3
[M+HCOO]- 297.16199 182.3
[M+CH3COO]- 311.17764 207.3
[M+Na-2H]- 273.13846 159.5
[M]+ 252.16324 159.9
[M]- 252.16434 159.9
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.