CID 1556523

N-(5-(4-fluorobenzyl)-1,3-thiazol-2-yl)heptanamide

Structural Information

Molecular Formula
C17H21FN2OS
SMILES
CCCCCCC(=O)NC1=NC=C(S1)CC2=CC=C(C=C2)F
InChI
InChI=1S/C17H21FN2OS/c1-2-3-4-5-6-16(21)20-17-19-12-15(22-17)11-13-7-9-14(18)10-8-13/h7-10,12H,2-6,11H2,1H3,(H,19,20,21)
InChIKey
VWKMTNQIKVHJEX-UHFFFAOYSA-N
Compound name
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

320.13586 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14314 174.7
[M+Na]+ 343.12508 181.5
[M-H]- 319.12858 178.7
[M+NH4]+ 338.16968 190.0
[M+K]+ 359.09902 175.9
[M+H-H2O]+ 303.13312 165.6
[M+HCOO]- 365.13406 191.9
[M+CH3COO]- 379.14971 208.3
[M+Na-2H]- 341.11053 173.1
[M]+ 320.13531 177.6
[M]- 320.13641 177.6
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

patents stripe