CID 453121

133697-52-6

Structural Information

Molecular Formula
C15H25N3O4
SMILES
CCCCCOCC1=CN(C(=O)N=C1N)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C15H25N3O4/c1-2-3-4-7-21-10-11-8-18(15(20)17-14(11)16)13-6-5-12(9-19)22-13/h8,12-13,19H,2-7,9-10H2,1H3,(H2,16,17,20)/t12-,13+/m0/s1
InChIKey
RIRCIPGYIBDDQN-QWHCGFSZSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(pentoxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1845 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19178 173.9
[M+Na]+ 334.17372 180.2
[M-H]- 310.17722 176.6
[M+NH4]+ 329.21832 185.4
[M+K]+ 350.14766 177.6
[M+H-H2O]+ 294.18176 165.1
[M+HCOO]- 356.18270 192.1
[M+CH3COO]- 370.19835 205.4
[M+Na-2H]- 332.15917 173.9
[M]+ 311.18395 175.9
[M]- 311.18505 175.9
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.