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 199.3
[M+Na]+ 388.22234 199.2
[M-H]- 364.22584 185.9
[M+NH4]+ 383.26694 188.2
[M+K]+ 404.19628 196.6
[M+H-H2O]+ 348.23038 190.6
[M+HCOO]- 410.23132 194.8
[M+CH3COO]- 424.24697 214.6
[M+Na-2H]- 386.20779 192.2
[M]+ 365.23257 183.9
[M]- 365.23367 183.9
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.