CID 70679056

15-methylhexadecasphinganine 1-phosphate(1-)

Structural Information

Molecular Formula
C17H38NO5P
SMILES
CC(C)CCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C17H38NO5P/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(19)16(18)14-23-24(20,21)22/h15-17,19H,3-14,18H2,1-2H3,(H2,20,21,22)/t16-,17+/m0/s1
InChIKey
NWNOHXIGPZLKDY-DLBZAZTESA-N
Compound name
[(2S,3R)-2-amino-3-hydroxy-15-methylhexadecyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.24875 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25603 200.8
[M+Na]+ 390.23797 200.3
[M-H]- 366.24147 187.7
[M+NH4]+ 385.28257 190.5
[M+K]+ 406.21191 198.2
[M+H-H2O]+ 350.24601 191.9
[M+HCOO]- 412.24695 196.5
[M+CH3COO]- 426.26260 216.2
[M+Na-2H]- 388.22342 193.6
[M]+ 367.24820 186.7
[M]- 367.24930 186.7
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.