CID 3010966

Azt-succinate-glycine-tris-dipalmitate

Structural Information

Molecular Formula
C52H89N7O12
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCC)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/C52H89N7O12/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-47(63)69-39-52(38-60,40-70-48(64)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)56-45(62)35-54-44(61)32-33-49(65)68-37-43-42(57-58-53)34-46(71-43)59-36-41(3)50(66)55-51(59)67/h36,42-43,46,60H,4-35,37-40H2,1-3H3,(H,54,61)(H,56,62)(H,55,66,67)/t42-,43+,46+/m0/s1
InChIKey
GVBOHCPLRXSJKE-MUMQFHEYSA-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]-2-(hexadecanoyloxymethyl)-3-hydroxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1003.6569 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1004.6642 318.4
[M+Na]+ 1026.6461 332.8
[M-H]- 1002.6496 329.5
[M+NH4]+ 1021.6907 333.6
[M+K]+ 1042.6201 331.2
[M+H-H2O]+ 986.65416 311.9
[M+HCOO]- 1048.6551 322.9
[M+CH3COO]- 1062.6708 333.0
[M+Na-2H]- 1024.6316 339.1
[M]+ 1003.6564 312.7
[M]- 1003.6574 312.7
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.