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]+ 340.132546 188.7
[M+Na]+ 362.114488 195.7
[M-H]- 338.117994 192.1
[M+NH4]+ 357.159093 202.1
[M+K]+ 378.088428 196.2
[M+H-H2O]+ 322.122530 175.1
[M+HCOO]- 384.123471 199.9
[M+CH3COO]- 398.139121 220.2
[M+Na-2H]- 360.099936 187.4
[M]+ 339.12472142 190.3
[M]- 339.12581858 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.