CID 493496

Cf1450

Structural Information

Molecular Formula
C23H37N3O4
SMILES
CCCCCCCCCCCCC1=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C23H37N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-17-15-26(23(29)25-22(17)24-18)21-14-19(28)20(16-27)30-21/h13,15,19-21,27-28H,2-12,14,16H2,1H3,(H,24,25,29)/t19-,20+,21+/m0/s1
InChIKey
SSWPGDWUQDBDAC-PWRODBHTSA-N
Compound name
6-dodecyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

419.2784 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.28568 205.7
[M+Na]+ 442.26762 211.2
[M-H]- 418.27112 205.8
[M+NH4]+ 437.31222 213.7
[M+K]+ 458.24156 205.3
[M+H-H2O]+ 402.27566 197.0
[M+HCOO]- 464.27660 218.3
[M+CH3COO]- 478.29225 221.2
[M+Na-2H]- 440.25307 201.4
[M]+ 419.27785 210.4
[M]- 419.27895 210.4
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.