CID 59580796

Tert-butyl n-(2-bromo-4-methyl-1,3-thiazol-5-yl)-n-methylcarbamate

Structural Information

Molecular Formula
C10H15BrN2O2S
SMILES
CC1=C(SC(=N1)Br)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H15BrN2O2S/c1-6-7(16-8(11)12-6)13(5)9(14)15-10(2,3)4/h1-5H3
InChIKey
ISORWAKWUMQFPW-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-bromo-4-methyl-1,3-thiazol-5-yl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

306.00375 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01103 155.9
[M+Na]+ 328.99297 168.2
[M-H]- 304.99647 163.2
[M+NH4]+ 324.03757 176.8
[M+K]+ 344.96691 158.2
[M+H-H2O]+ 289.00101 155.4
[M+HCOO]- 351.00195 171.9
[M+CH3COO]- 365.01760 202.8
[M+Na-2H]- 326.97842 158.2
[M]+ 306.00320 179.9
[M]- 306.00430 179.9
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