CID 5271273

N^4-butanoyl-mmdcyd

Structural Information

Molecular Formula
C16H25N3O5
SMILES
CCCC(=O)NC1=NC(=O)N(C=C1COC)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C16H25N3O5/c1-3-4-14(22)17-15-11(9-24-2)7-19(16(23)18-15)12-5-10(8-20)13(21)6-12/h7,10,12-13,20-21H,3-6,8-9H2,1-2H3,(H,17,18,22,23)/t10-,12-,13+/m1/s1
InChIKey
ZKRZEHYUUITBQT-RTXFEEFZSA-N
Compound name
N-[1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-(methoxymethyl)-2-oxopyrimidin-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.1794 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.18668 178.9
[M+Na]+ 362.16862 184.8
[M-H]- 338.17212 180.5
[M+NH4]+ 357.21322 190.1
[M+K]+ 378.14256 181.5
[M+H-H2O]+ 322.17666 170.6
[M+HCOO]- 384.17760 196.1
[M+CH3COO]- 398.19325 209.7
[M+Na-2H]- 360.15407 176.7
[M]+ 339.17885 180.2
[M]- 339.17995 180.2
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.