CID 75458687

Tert-butyl n-(4-methyl-2-propyl-1,3-thiazol-5-yl)carbamate

Structural Information

Molecular Formula
C12H20N2O2S
SMILES
CCCC1=NC(=C(S1)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H20N2O2S/c1-6-7-9-13-8(2)10(17-9)14-11(15)16-12(3,4)5/h6-7H2,1-5H3,(H,14,15)
InChIKey
AVEWTPGBTKRNAR-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-methyl-2-propyl-1,3-thiazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.12454 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13182 161.4
[M+Na]+ 279.11376 169.1
[M-H]- 255.11726 164.3
[M+NH4]+ 274.15836 179.9
[M+K]+ 295.08770 166.9
[M+H-H2O]+ 239.12180 155.3
[M+HCOO]- 301.12274 178.3
[M+CH3COO]- 315.13839 196.3
[M+Na-2H]- 277.09921 161.3
[M]+ 256.12399 166.7
[M]- 256.12509 166.7
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.