CID 453116

133697-48-0

Structural Information

Molecular Formula
C19H23N3O5
SMILES
CC1=CC=C(C=C1)C(=O)OC[C@@H]2CC[C@@H](O2)N3C=C(C(=NC3=O)N)COC
InChI
InChI=1S/C19H23N3O5/c1-12-3-5-13(6-4-12)18(23)26-11-15-7-8-16(27-15)22-9-14(10-25-2)17(20)21-19(22)24/h3-6,9,15-16H,7-8,10-11H2,1-2H3,(H2,20,21,24)/t15-,16+/m0/s1
InChIKey
LGDPJGNJKYBJJW-JKSUJKDBSA-N
Compound name
[(2S,5R)-5-[4-amino-5-(methoxymethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.16376 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17104 188.0
[M+Na]+ 396.15298 194.9
[M-H]- 372.15648 195.8
[M+NH4]+ 391.19758 197.1
[M+K]+ 412.12692 192.5
[M+H-H2O]+ 356.16102 177.9
[M+HCOO]- 418.16196 207.0
[M+CH3COO]- 432.17761 218.8
[M+Na-2H]- 394.13843 186.8
[M]+ 373.16321 191.0
[M]- 373.16431 191.0
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.