CID 121552726

Tert-butyl n-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]carbamate

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]+ 295.091106 166.5
[M+Na]+ 317.073048 174.8
[M-H]- 293.076554 171.4
[M+NH4]+ 312.117653 183.0
[M+K]+ 333.046988 171.1
[M+H-H2O]+ 277.081090 158.6
[M+HCOO]- 339.082031 183.4
[M+CH3COO]- 353.097681 200.5
[M+Na-2H]- 315.058496 167.4
[M]+ 294.08328142 169.1
[M]- 294.08437858 169.1
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.