CID 479241

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

Structural Information

Molecular Formula
C14H25ClN4O3Si
SMILES
CC(C)(C)[Si](C)(C)OCCCCNC1=C(C(=NC=N1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H25ClN4O3Si/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,(H,16,17,18)
InChIKey
XJCOQOUPAYJOHB-UHFFFAOYSA-N
Compound name
N-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-6-chloro-5-nitropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.13846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14574 184.4
[M+Na]+ 383.12768 189.9
[M-H]- 359.13118 185.0
[M+NH4]+ 378.17228 195.3
[M+K]+ 399.10162 182.3
[M+H-H2O]+ 343.13572 181.6
[M+HCOO]- 405.13666 198.8
[M+CH3COO]- 419.15231 209.0
[M+Na-2H]- 381.11313 191.9
[M]+ 360.13791 188.1
[M]- 360.13901 188.1
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.