CID 177798006

Tert-butyl 3-(2-amino-5-bromo-6-oxo-1,6-dihydropyrimidin-4-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H17BrN4O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C12H17BrN4O3/c1-12(2,3)20-11(19)17-4-6(5-17)8-7(13)9(18)16-10(14)15-8/h6H,4-5H2,1-3H3,(H3,14,15,16,18)
InChIKey
ZGRXOGMTCYVEJP-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-amino-5-bromo-6-oxo-1H-pyrimidin-4-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0484 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05568 166.4
[M+Na]+ 367.03762 175.6
[M-H]- 343.04112 170.1
[M+NH4]+ 362.08222 173.0
[M+K]+ 383.01156 167.2
[M+H-H2O]+ 327.04566 158.6
[M+HCOO]- 389.04660 179.3
[M+CH3COO]- 403.06225 208.7
[M+Na-2H]- 365.02307 169.4
[M]+ 344.04785 191.1
[M]- 344.04895 191.1
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.