CID 3247041

474923-29-0

Structural Information

Molecular Formula
C17H38NO5P
SMILES
CCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C17H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h16-17,19H,2-15,18H2,1H3,(H2,20,21,22)/t16-,17+/m0/s1
InChIKey
RTCZJPCPBSBOKB-DLBZAZTESA-N
Compound name
[(2S,3R)-2-amino-3-hydroxyheptadecyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

367.24875 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25603 200.3
[M+Na]+ 390.23797 200.0
[M-H]- 366.24147 187.2
[M+NH4]+ 385.28257 190.0
[M+K]+ 406.21191 197.3
[M+H-H2O]+ 350.24601 191.2
[M+HCOO]- 412.24695 199.9
[M+CH3COO]- 426.26260 215.3
[M+Na-2H]- 388.22342 194.3
[M]+ 367.24820 204.2
[M]- 367.24930 204.2
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

patents stripe