CID 145915789

2384911-33-3

Structural Information

Molecular Formula
C11H16IN3O2
SMILES
CC(C)(C)OC(=O)N1CCCN2C1=NC=C2I
InChI
InChI=1S/C11H16IN3O2/c1-11(2,3)17-10(16)15-6-4-5-14-8(12)7-13-9(14)15/h7H,4-6H2,1-3H3
InChIKey
GHBJOHBVIMCKLC-UHFFFAOYSA-N
Compound name
tert-butyl 3-iodo-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.02872 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.03600 158.0
[M+Na]+ 372.01794 159.0
[M-H]- 348.02144 151.6
[M+NH4]+ 367.06254 170.0
[M+K]+ 387.99188 163.0
[M+H-H2O]+ 332.02598 147.3
[M+HCOO]- 394.02692 169.0
[M+CH3COO]- 408.04257 199.1
[M+Na-2H]- 370.00339 150.3
[M]+ 349.02817 156.0
[M]- 349.02927 156.0
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.