CID 479250

4-amino-6-[n-(4'-tert-butyldimethylsilyloxybutyl)amini]-5-nitropyrimidine

Structural Information

Molecular Formula
C14H27N5O3Si
SMILES
CC(C)(C)[Si](C)(C)OCCCCNC1=NC=NC(=C1[N+](=O)[O-])N
InChI
InChI=1S/C14H27N5O3Si/c1-14(2,3)23(4,5)22-9-7-6-8-16-13-11(19(20)21)12(15)17-10-18-13/h10H,6-9H2,1-5H3,(H3,15,16,17,18)
InChIKey
NWLAIGVCEGMZBY-UHFFFAOYSA-N
Compound name
4-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-nitropyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.18832 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19560 179.5
[M+Na]+ 364.17754 183.8
[M-H]- 340.18104 180.0
[M+NH4]+ 359.22214 189.8
[M+K]+ 380.15148 177.5
[M+H-H2O]+ 324.18558 175.9
[M+HCOO]- 386.18652 199.1
[M+CH3COO]- 400.20217 209.6
[M+Na-2H]- 362.16299 187.5
[M]+ 341.18777 179.6
[M]- 341.18887 179.6
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.