CID 162757034

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

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CC1=C(SC(=N1)CNC(=O)OC(C)(C)C)C(=O)C
InChI
InChI=1S/C12H18N2O3S/c1-7-10(8(2)15)18-9(14-7)6-13-11(16)17-12(3,4)5/h6H2,1-5H3,(H,13,16)
InChIKey
KXPXDQHKMLLENK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

270.10382 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.111096 163.5
[M+Na]+ 293.093038 170.9
[M-H]- 269.096544 166.4
[M+NH4]+ 288.137643 181.1
[M+K]+ 309.066978 169.2
[M+H-H2O]+ 253.101080 157.4
[M+HCOO]- 315.102021 179.7
[M+CH3COO]- 329.117671 198.3
[M+Na-2H]- 291.078486 162.6
[M]+ 270.10327142 168.8
[M]- 270.10436858 168.8
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