CID 493552

5-[[(4-aminodecyl)amino]-3-oxopropyl]-3'-azido-2',3'-dideoxyuridine

Structural Information

Molecular Formula
C22H37N7O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCC(=O)NCCCCCCCCCCN)CO)N=[N+]=[N-]
InChI
InChI=1S/C22H37N7O5/c23-11-7-5-3-1-2-4-6-8-12-25-19(31)10-9-16-14-29(22(33)26-21(16)32)20-13-17(27-28-24)18(15-30)34-20/h14,17-18,20,30H,1-13,15,23H2,(H,25,31)(H,26,32,33)/t17-,18+,20+/m0/s1
InChIKey
YOBXBUIFJQYXKU-NLWGTHIKSA-N
Compound name
N-(10-aminodecyl)-3-[1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

479.2856 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.29288 215.0
[M+Na]+ 502.27482 215.3
[M-H]- 478.27832 218.2
[M+NH4]+ 497.31942 218.2
[M+K]+ 518.24876 206.4
[M+H-H2O]+ 462.28286 207.9
[M+HCOO]- 524.28380 236.3
[M+CH3COO]- 538.29945 241.1
[M+Na-2H]- 500.26027 216.4
[M]+ 479.28505 213.6
[M]- 479.28615 213.6
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.