CID 114518267

Tert-butyl n-{3-[(6-fluoropyrimidin-4-yl)amino]propyl}carbamate

Structural Information

Molecular Formula
C12H19FN4O2
SMILES
CC(C)(C)OC(=O)NCCCNC1=CC(=NC=N1)F
InChI
InChI=1S/C12H19FN4O2/c1-12(2,3)19-11(18)15-6-4-5-14-10-7-9(13)16-8-17-10/h7-8H,4-6H2,1-3H3,(H,15,18)(H,14,16,17)
InChIKey
SDORKDHARFWEQC-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[(6-fluoropyrimidin-4-yl)amino]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1492 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15648 163.3
[M+Na]+ 293.13842 169.2
[M-H]- 269.14192 162.7
[M+NH4]+ 288.18302 176.6
[M+K]+ 309.11236 167.1
[M+H-H2O]+ 253.14646 154.1
[M+HCOO]- 315.14740 183.3
[M+CH3COO]- 329.16305 201.9
[M+Na-2H]- 291.12387 169.0
[M]+ 270.14865 163.8
[M]- 270.14975 163.8
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.