CID 479244

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

Structural Information

Molecular Formula
C17H31N5O3Si
SMILES
CC(C)(C)[Si](C)(C)OCCCCNC1=C(C(=NC=N1)NC2CC2)[N+](=O)[O-]
InChI
InChI=1S/C17H31N5O3Si/c1-17(2,3)26(4,5)25-11-7-6-10-18-15-14(22(23)24)16(20-12-19-15)21-13-8-9-13/h12-13H,6-11H2,1-5H3,(H2,18,19,20,21)
InChIKey
QEAMFQKUKHITRY-UHFFFAOYSA-N
Compound name
6-N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-N-cyclopropyl-5-nitropyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.2196 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.22688 186.6
[M+Na]+ 404.20882 191.3
[M-H]- 380.21232 190.9
[M+NH4]+ 399.25342 191.1
[M+K]+ 420.18276 182.7
[M+H-H2O]+ 364.21686 182.6
[M+HCOO]- 426.21780 206.5
[M+CH3COO]- 440.23345 219.4
[M+Na-2H]- 402.19427 194.7
[M]+ 381.21905 189.7
[M]- 381.22015 189.7
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.