CID 165890136

Tert-butyl n-[(tert-butoxy)carbonyl]-n-[(2-cyano-1,3-thiazol-4-yl)methyl]carbamate

Structural Information

Molecular Formula
C15H21N3O4S
SMILES
CC(C)(C)OC(=O)N(CC1=CSC(=N1)C#N)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H21N3O4S/c1-14(2,3)21-12(19)18(13(20)22-15(4,5)6)8-10-9-23-11(7-16)17-10/h9H,8H2,1-6H3
InChIKey
MHMOKJAPXIPFHW-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-cyano-1,3-thiazol-4-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12527 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13255 188.7
[M+Na]+ 362.11449 195.7
[M-H]- 338.11799 192.1
[M+NH4]+ 357.15909 202.1
[M+K]+ 378.08843 196.2
[M+H-H2O]+ 322.12253 175.1
[M+HCOO]- 384.12347 199.9
[M+CH3COO]- 398.13912 220.2
[M+Na-2H]- 360.09994 187.4
[M]+ 339.12472 190.3
[M]- 339.12582 190.3
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.