CID 121204754

2097958-53-5

Structural Information

Molecular Formula
C13H19ClN4O2
SMILES
CC1=NC(=CC(=N1)Cl)NC2CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H19ClN4O2/c1-8-15-10(14)5-11(16-8)17-9-6-18(7-9)12(19)20-13(2,3)4/h5,9H,6-7H2,1-4H3,(H,15,16,17)
InChIKey
KWVBVLUDQHNJOI-UHFFFAOYSA-N
Compound name
tert-butyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11966 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12694 169.5
[M+Na]+ 321.10888 176.3
[M-H]- 297.11238 171.8
[M+NH4]+ 316.15348 175.4
[M+K]+ 337.08282 175.8
[M+H-H2O]+ 281.11692 155.6
[M+HCOO]- 343.11786 181.3
[M+CH3COO]- 357.13351 206.9
[M+Na-2H]- 319.09433 172.3
[M]+ 298.11911 180.7
[M]- 298.12021 180.7
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.