CID 70679238

15-methylhexadecasphing-4-enine 1-phosphate(1-)

Structural Information

Molecular Formula
C17H36NO5P
SMILES
CC(C)CCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C17H36NO5P/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(19)16(18)14-23-24(20,21)22/h11,13,15-17,19H,3-10,12,14,18H2,1-2H3,(H2,20,21,22)/b13-11+/t16-,17+/m0/s1
InChIKey
KGHLSJONZZZQPJ-KORIGIIASA-N
Compound name
[(E,2S,3R)-2-amino-3-hydroxy-15-methylhexadec-4-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.23312 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24040 193.4
[M+Na]+ 388.22234 195.0
[M+NH4]+ 383.26694 196.6
[M+K]+ 404.19628 194.4
[M-H]- 364.22584 189.3
[M+Na-2H]- 386.20779 188.4
[M]+ 365.23257 190.9
[M]- 365.23367 190.9
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.