CID 3010965

Azt-succinate-glycine-tris-monopalmitate

Structural Information

Molecular Formula
C36H59N7O11
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)NC(=O)CNC(=O)CCC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-]
InChI
InChI=1S/C36H59N7O11/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-32(48)53-25-36(23-44,24-45)40-30(47)20-38-29(46)17-18-33(49)52-22-28-27(41-42-37)19-31(54-28)43-21-26(2)34(50)39-35(43)51/h21,27-28,31,44-45H,3-20,22-25H2,1-2H3,(H,38,46)(H,40,47)(H,39,50,51)/t27-,28+,31+/m0/s1
InChIKey
JXTBTTCGUJOFSU-WTNLLYQRSA-N
Compound name
[2-[[2-[[4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-4-oxobutanoyl]amino]acetyl]amino]-3-hydroxy-2-(hydroxymethyl)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

765.42725 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 766.43453 272.3
[M+Na]+ 788.41647 288.2
[M-H]- 764.41997 285.6
[M+NH4]+ 783.46107 283.1
[M+K]+ 804.39041 280.0
[M+H-H2O]+ 748.42451 265.1
[M+HCOO]- 810.42545 283.3
[M+CH3COO]- 824.44110 290.0
[M+Na-2H]- 786.40192 293.5
[M]+ 765.42670 262.5
[M]- 765.42780 262.5
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.