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]+ 257.131816 161.4
[M+Na]+ 279.113758 169.1
[M-H]- 255.117264 164.3
[M+NH4]+ 274.158363 179.9
[M+K]+ 295.087698 166.9
[M+H-H2O]+ 239.121800 155.3
[M+HCOO]- 301.122741 178.3
[M+CH3COO]- 315.138391 196.3
[M+Na-2H]- 277.099206 161.3
[M]+ 256.12399142 166.7
[M]- 256.12508858 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.