CID 9547083

1,2-dicaproyl-sn-phosphatidyl-l-serine

Structural Information

Molecular Formula
C18H34NO10P
SMILES
CCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC
InChI
InChI=1S/C18H34NO10P/c1-3-5-7-9-16(20)26-11-14(29-17(21)10-8-6-4-2)12-27-30(24,25)28-13-15(19)18(22)23/h14-15H,3-13,19H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m1/s1
InChIKey
MIQYPPGTNIFAPO-CABCVRRESA-N
Compound name
(2S)-2-amino-3-[[(2R)-2,3-di(hexanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1116
Patents

455.19205 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.19933 207.0
[M+Na]+ 478.18127 212.5
[M-H]- 454.18477 209.8
[M+NH4]+ 473.22587 214.2
[M+K]+ 494.15521 206.1
[M+H-H2O]+ 438.18931 199.6
[M+HCOO]- 500.19025 209.1
[M+CH3COO]- 514.20590 229.9
[M+Na-2H]- 476.16672 194.9
[M]+ 455.19150 203.0
[M]- 455.19260 203.0
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

patents stripe