CID 493491

Cf1603

Structural Information

Molecular Formula
C21H32N2O4S
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2S1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C21H32N2O4S/c1-2-3-4-5-6-7-8-9-10-16-11-15-13-23(21(26)22-20(15)28-16)19-12-17(25)18(14-24)27-19/h11,13,17-19,24-25H,2-10,12,14H2,1H3/t17-,18+,19+/m0/s1
InChIKey
BCGOFCWNLPZXPR-IPMKNSEASA-N
Compound name
6-decyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]thieno[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

408.20828 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.21556 198.8
[M+Na]+ 431.19750 206.3
[M-H]- 407.20100 202.2
[M+NH4]+ 426.24210 210.3
[M+K]+ 447.17144 201.3
[M+H-H2O]+ 391.20554 192.2
[M+HCOO]- 453.20648 210.6
[M+CH3COO]- 467.22213 218.3
[M+Na-2H]- 429.18295 194.1
[M]+ 408.20773 206.8
[M]- 408.20883 206.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.