CID 121552726

1909309-21-2

Structural Information

Molecular Formula
C14H15FN2O2S
SMILES
CC(C)(C)OC(=O)NC1=C(N=CS1)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H15FN2O2S/c1-14(2,3)19-13(18)17-12-11(16-8-20-12)9-4-6-10(15)7-5-9/h4-8H,1-3H3,(H,17,18)
InChIKey
XIMQQGVCYBACMI-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.08383 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09111 167.7
[M+Na]+ 317.07305 177.6
[M+NH4]+ 312.11765 174.4
[M+K]+ 333.04699 172.2
[M-H]- 293.07655 168.8
[M+Na-2H]- 315.05850 173.2
[M]+ 294.08328 169.7
[M]- 294.08438 169.7
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.