CID 493554

4-n-(12-aminododecyl)-2',3'-dideoxycytidine

Structural Information

Molecular Formula
C21H38N4O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)NCCCCCCCCCCCCN
InChI
InChI=1S/C21H38N4O3/c22-14-9-7-5-3-1-2-4-6-8-10-15-23-19-13-16-25(21(27)24-19)20-12-11-18(17-26)28-20/h13,16,18,20,26H,1-12,14-15,17,22H2,(H,23,24,27)/t18-,20+/m0/s1
InChIKey
NIVSTOPDMRKWBH-AZUAARDMSA-N
Compound name
4-(12-aminododecylamino)-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.2944 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.30168 199.4
[M+Na]+ 417.28362 201.2
[M-H]- 393.28712 200.5
[M+NH4]+ 412.32822 206.8
[M+K]+ 433.25756 196.8
[M+H-H2O]+ 377.29166 188.8
[M+HCOO]- 439.29260 216.4
[M+CH3COO]- 453.30825 225.1
[M+Na-2H]- 415.26907 197.7
[M]+ 394.29385 200.9
[M]- 394.29495 200.9
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.