CID 3009341

Tmed-glc

Structural Information

Molecular Formula
C19H41N2O9P
SMILES
CN(C)CCN(C)CCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O
InChI
InChI=1S/C19H41N2O9P/c1-20(2)11-12-21(3)10-8-6-4-5-7-9-13-28-31(26,27)29-14-15-16(22)17(23)18(24)19(25)30-15/h15-19,22-25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18-,19?/m1/s1
InChIKey
DBORFLSVOWQIEU-DQROZCCUSA-N
Compound name
8-[2-(dimethylamino)ethyl-methylamino]octyl [(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.25497 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.26225 213.6
[M+Na]+ 495.24419 224.4
[M-H]- 471.24769 220.3
[M+NH4]+ 490.28879 219.2
[M+K]+ 511.21813 214.3
[M+H-H2O]+ 455.25223 203.4
[M+HCOO]- 517.25317 232.6
[M+CH3COO]- 531.26882 239.2
[M+Na-2H]- 493.22964 208.7
[M]+ 472.25442 212.0
[M]- 472.25552 212.0
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.