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

5
Patents

270.10382 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 163.5
[M+Na]+ 293.09304 170.9
[M-H]- 269.09654 166.4
[M+NH4]+ 288.13764 181.1
[M+K]+ 309.06698 169.2
[M+H-H2O]+ 253.10108 157.4
[M+HCOO]- 315.10202 179.7
[M+CH3COO]- 329.11767 198.3
[M+Na-2H]- 291.07849 162.6
[M]+ 270.10327 168.8
[M]- 270.10437 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