CID 479247

6-[n-(4'-tert-butyldimethylsilyloxybutyl)amino]-4-(2'-ethylimidazolyl)-5-nitro-pyrimidine

Structural Information

Molecular Formula
C19H32N6O3Si
SMILES
CC(C)(C)[Si](C)(C)OCCCCNC1=NC=NC(=C1[N+](=O)[O-])CCC2=NC=CN2
InChI
InChI=1S/C19H32N6O3Si/c1-19(2,3)29(4,5)28-13-7-6-10-22-18-17(25(26)27)15(23-14-24-18)8-9-16-20-11-12-21-16/h11-12,14H,6-10,13H2,1-5H3,(H,20,21)(H,22,23,24)
InChIKey
HTCSVBKMGAMECD-UHFFFAOYSA-N
Compound name
N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-[2-(1H-imidazol-2-yl)ethyl]-5-nitropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

420.23053 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.23781 201.7
[M+Na]+ 443.21975 204.5
[M-H]- 419.22325 201.9
[M+NH4]+ 438.26435 207.1
[M+K]+ 459.19369 196.1
[M+H-H2O]+ 403.22779 195.8
[M+HCOO]- 465.22873 217.0
[M+CH3COO]- 479.24438 218.8
[M+Na-2H]- 441.20520 208.5
[M]+ 420.22998 202.1
[M]- 420.23108 202.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.