CID 114518300

Tert-butyl n-{2-[(6-fluoropyrimidin-4-yl)amino]ethyl}carbamate

Structural Information

Molecular Formula
C11H17FN4O2
SMILES
CC(C)(C)OC(=O)NCCNC1=CC(=NC=N1)F
InChI
InChI=1S/C11H17FN4O2/c1-11(2,3)18-10(17)14-5-4-13-9-6-8(12)15-7-16-9/h6-7H,4-5H2,1-3H3,(H,14,17)(H,13,15,16)
InChIKey
RUTWFIHOUCMLIN-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[(6-fluoropyrimidin-4-yl)amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13354 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14082 158.8
[M+Na]+ 279.12276 165.1
[M-H]- 255.12626 158.4
[M+NH4]+ 274.16736 172.7
[M+K]+ 295.09670 163.3
[M+H-H2O]+ 239.13080 149.8
[M+HCOO]- 301.13174 179.2
[M+CH3COO]- 315.14739 198.9
[M+Na-2H]- 277.10821 165.0
[M]+ 256.13299 158.9
[M]- 256.13409 158.9
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.