CID 385272

Nsc676383

Structural Information

Molecular Formula
C16H28N4O3
SMILES
C1CC(C1)(CNC2=CC(N=C(N2)N)OCC3(CCC3)CO)CO
InChI
InChI=1S/C16H28N4O3/c17-14-19-12(18-8-15(9-21)3-1-4-15)7-13(20-14)23-11-16(10-22)5-2-6-16/h7,13,18,21-22H,1-6,8-11H2,(H3,17,19,20)
InChIKey
YCCJVKKFGSNXNQ-UHFFFAOYSA-N
Compound name
[1-[[[2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methoxy]-1,4-dihydropyrimidin-6-yl]amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.21616 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22344 180.8
[M+Na]+ 347.20538 180.1
[M-H]- 323.20888 181.6
[M+NH4]+ 342.24998 179.8
[M+K]+ 363.17932 182.5
[M+H-H2O]+ 307.21342 162.9
[M+HCOO]- 369.21436 191.5
[M+CH3COO]- 383.23001 214.4
[M+Na-2H]- 345.19083 181.5
[M]+ 324.21561 191.1
[M]- 324.21671 191.1
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.