CID 132371402

Tert-butyl n-[(5-bromopyrimidin-2-yl)methyl]-n-methylcarbamate

Structural Information

Molecular Formula
C11H16BrN3O2
SMILES
CC(C)(C)OC(=O)N(C)CC1=NC=C(C=N1)Br
InChI
InChI=1S/C11H16BrN3O2/c1-11(2,3)17-10(16)15(4)7-9-13-5-8(12)6-14-9/h5-6H,7H2,1-4H3
InChIKey
WZXJEWQBXSSNDY-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

301.0426 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.04988 158.7
[M+Na]+ 324.03182 169.1
[M-H]- 300.03532 163.8
[M+NH4]+ 319.07642 175.7
[M+K]+ 340.00576 159.6
[M+H-H2O]+ 284.03986 156.8
[M+HCOO]- 346.04080 177.3
[M+CH3COO]- 360.05645 203.6
[M+Na-2H]- 322.01727 165.6
[M]+ 301.04205 180.4
[M]- 301.04315 180.4
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