CID 167721913

Tert-butyl n-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate

Structural Information

Molecular Formula
C12H18FN3O2
SMILES
CC(C)(C)OC(=O)NC(C)(C)C1=NC=C(C=N1)F
InChI
InChI=1S/C12H18FN3O2/c1-11(2,3)18-10(17)16-12(4,5)9-14-6-8(13)7-15-9/h6-7H,1-5H3,(H,16,17)
InChIKey
XEBQSVMVUQFSAD-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1383 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14558 159.5
[M+Na]+ 278.12752 166.8
[M-H]- 254.13102 159.4
[M+NH4]+ 273.17212 174.0
[M+K]+ 294.10146 165.2
[M+H-H2O]+ 238.13556 151.5
[M+HCOO]- 300.13650 176.9
[M+CH3COO]- 314.15215 197.3
[M+Na-2H]- 276.11297 165.7
[M]+ 255.13775 160.2
[M]- 255.13885 160.2
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.