CID 452802

2'hexach2imino-dt

Structural Information

Molecular Formula
C16H25N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H](C[C@H](O2)CO)N3CCCCCC3
InChI
InChI=1S/C16H25N3O4/c1-11-9-19(16(22)17-14(11)21)15-13(8-12(10-20)23-15)18-6-4-2-3-5-7-18/h9,12-13,15,20H,2-8,10H2,1H3,(H,17,21,22)/t12-,13+,15+/m0/s1
InChIKey
HPLKCFGKGZMNSE-GZBFAFLISA-N
Compound name
1-[(2R,3R,5S)-3-(azepan-1-yl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1845 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19178 176.2
[M+Na]+ 346.17372 180.6
[M-H]- 322.17722 180.8
[M+NH4]+ 341.21832 184.4
[M+K]+ 362.14766 181.1
[M+H-H2O]+ 306.18176 165.7
[M+HCOO]- 368.18270 187.6
[M+CH3COO]- 382.19835 184.1
[M+Na-2H]- 344.15917 173.5
[M]+ 323.18395 168.8
[M]- 323.18505 168.8
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.